Geometry & MOs

Info

ID:	441233
PubChem CID:	135233740
Reduced:	ON3H25C41 (1)
Stoich.:	AB3C25D41 (1)
Weight, g/mol:	638.272199
ΔH_f, kcal/mol:	180.83
Dipole, Da:	1.61
IP(EA), eV:	-8.8(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[9-(5-phenylcyclohexa-2,4-dien-1-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC4=C(C=C3)OC5=CC=CC(=C54)C6=CC7=C(C=CC8=CC=CC=C87)C=C6)C9=CC=CC=C9

DOS

IR

Vibrations