Geometry & MOs

Info

ID:	51470
PubChem CID:	12014146
Reduced:	NOH9C11 (1)
Stoich.:	ABC9D11 (1)
Weight, g/mol:	394.077032
ΔH_f, kcal/mol:	7.92
Dipole, Da:	2.86
IP(EA), eV:	-8.87(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,7aS)-1,3-diphenyl-2-(trichloromethyl)-3a,4,5,6,7,7a-hexahydro-2H-benzimidazole

Drug info:

PubChemData

Smile

C1CC(=CC2=CC=CC=C21)N=C=O

DOS

IR

Vibrations