Geometry & MOs

Info

ID:	376927
PubChem CID:	134222960
Reduced:	NC15H23 (1)
Stoich.:	AB15C23 (1)
Weight, g/mol:	670.219118
ΔH_f, kcal/mol:	-7.3
Dipole, Da:	1.31
IP(EA), eV:	-8.32(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[8-(2,7-dipyridin-2-yl-4H-azepin-5-yl)dibenzothiophen-2-yl]-9-phenylcarbazole

Drug info:

PubChemData

Smile

CCCCCCC1=C(C=CC(=C1)N)C(=C)C

DOS

IR

Vibrations