Geometry & MOs

Info

ID:	441251
PubChem CID:	135233821
Reduced:	OI2H8C12 (1)
Stoich.:	AB2C8D12 (1)
Weight, g/mol:	566.210661
ΔH_f, kcal/mol:	47.7
Dipole, Da:	2.43
IP(EA), eV:	-8.8(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-[4-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole

Drug info:

PubChemData

Smile

C1C=CC(=C2C1OC3=C2C=C(C=C3)I)I

DOS

IR

Vibrations