Geometry & MOs

Info

ID:	377514
PubChem CID:	134223571
Reduced:	NC23H41 (1)
Stoich.:	AB23C41 (1)
Weight, g/mol:	503.170771
ΔH_f, kcal/mol:	-31.73
Dipole, Da:	0.98
IP(EA), eV:	-8.47(1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(3-cyclohexa-1,3-dien-1-ylphenyl)-3-dibenzothiophen-2-ylcarbazole

Drug info:

PubChemData

Smile

CCCCN(CC)CC1CCC2C(C2(CC1)C3CCC(=C)CC3)C

DOS

IR

Vibrations