Geometry & MOs

Info

ID:	377137
PubChem CID:	134223175
Reduced:	NSC18H31 (1)
Stoich.:	ABC18D31 (1)
Weight, g/mol:	664.251464
ΔH_f, kcal/mol:	-25.77
Dipole, Da:	3.03
IP(EA), eV:	-8.21(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-phenyl-3-[2-(9-phenylcarbazol-3-yl)-6H-cyclohepta[b][1]benzofuran-9-yl]carbazole

Drug info:

PubChemData

Smile

CCSCC1CCC2C(C1CC2C3CCC(=C)NC3)C

DOS

IR

Vibrations