Geometry & MOs

Info

ID:	426446
PubChem CID:	135144192
Reduced:	ON4H28C43 (1)
Stoich.:	AB4C28D43 (1)
Weight, g/mol:	401.21435
ΔH_f, kcal/mol:	195.83
Dipole, Da:	1.8
IP(EA), eV:	-8.31(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-cyclohexa-1,5-dien-1-yl-5-cyclohexa-2,4-dien-1-ylcyclohexa-1,3-dien-1-yl)-9H-carbazole

Drug info:

PubChemData

Smile

C1CC2=C(C=C1C3=CC4=CC=CC=C4C=C3)N(C5=CC=CC=C25)C6=NC(=NC(=N6)C7=CC8=C(C=C7)OC9=CC=CC=C98)C1=CC=CC=C1

DOS

IR

Vibrations