Geometry & MOs

Info

ID:	426395
PubChem CID:	135143802
Reduced:	N4H32C49 (1)
Stoich.:	A4B32C49 (1)
Weight, g/mol:	413.21435
ΔH_f, kcal/mol:	253.52
Dipole, Da:	1.41
IP(EA), eV:	-8.24(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-cyclohepta-2,5-dien-1-yl-5-cyclohexa-1,5-dien-1-ylphenyl)-9H-carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC=CC(=C3)C4=CC=C(C=C4)N5C6=CC=CC=C6C7=C5C=C(C=C7)C8=CC=CC9=CC=CC=C98)C1=CC=CC=C1

DOS

IR

Vibrations