Geometry & MOs

Info

ID:	442251
PubChem CID:	135250813
Reduced:	ON3C11H11 (3)
Stoich.:	AB3C11D11 (3)
Weight, g/mol:	1310.709841
ΔH_f, kcal/mol:	77.47
Dipole, Da:	1.33
IP(EA), eV:	-9.6(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-5-[3,6,8-tris[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)pyridin-3-yl]pyren-1-yl]pyridine

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

CC1(CN=C(O1)C2=CC=CC(=N2)C3=NC(=NC(=N3)C4=NC(=CC=C4)C5=NCC(O5)(C)C)C6=NC(=CC=C6)C7=NCC(O7)(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

CC1(CN=C(O1)C2=CC=CC(=N2)C3=NC(=NC(=N3)C4=NC(=CC=C4)C5=NCC(O5)(C)C)C6=NC(=CC=C6)C7=NCC(O7)(C)C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):