Geometry & MOs

Info

ID:	316087
PubChem CID:	126630034
Reduced:	Cl3N4O7C26H41 (1)
Stoich.:	A3B4C7D26E41 (1)
Weight, g/mol:	1660.214558
ΔH_f, kcal/mol:	-311.52
Dipole, Da:	7.98
IP(EA), eV:	-8.94(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[7-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-9,9-dioctylfluoren-2-yl]phenyl]-7-[4-(N-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)anilino)phenyl]-9,9-dioctyl-N-phenylfluoren-2-amine

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)[C@@H](C(=O)N[C@@H](COCC1(COC1)C)C(=O)N2CCC[C@H](N2)C(=O)OCC(Cl)(Cl)Cl)NC(=O)C(C)(C)C=C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)[C@@H](C(=O)N[C@@H](COCC1(COC1)C)C(=O)N2CCC[C@H](N2)C(=O)OCC(Cl)(Cl)Cl)NC(=O)C(C)(C)C=C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):