Geometry & MOs

Info

ID:	316281
PubChem CID:	126630567
Reduced:	N4O6C25H42 (1)
Stoich.:	A4B6C25D42 (1)
Weight, g/mol:	2300.858797
ΔH_f, kcal/mol:	-274.05
Dipole, Da:	3.87
IP(EA), eV:	-9.19(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[3-[2,6-bis[4-[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole

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](CC1CCOCC1)C(=O)N2CCC[C@H](N2)C(=O)OC)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](CC1CCOCC1)C(=O)N2CCC[C@H](N2)C(=O)OC)NC(=O)C(C)(C)C=C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):