Geometry & MOs

Info

ID:	217662
PubChem CID:	85088183
Reduced:	ClIOC16H16 (1)
Stoich.:	ABCD16E16 (1)
Weight, g/mol:	392.140389
ΔH_f, kcal/mol:	-3.93
Dipole, Da:	2.93
IP(EA), eV:	-8.95(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl)-4-anilino-6-chloro-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC(CCCl)C2=CC=CC=C2)I

DOS

IR

Vibrations