Geometry & MOs

Info

ID:	430968
PubChem CID:	135171038
Reduced:	ClON3C24H26 (1)
Stoich.:	ABC3D24E26 (1)
Weight, g/mol:	406.236876
ΔH_f, kcal/mol:	13.98
Dipole, Da:	2.52
IP(EA), eV:	-8.56(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(benzylamino)cyclohexyl]-N-ethyl-4-methoxy-1H-benzimidazole-2-carboxamide

Drug info:

PubChemData

Smile

CCN(C1CCC=C(C1)NCC2=CC=C(C=C2)Cl)C(=O)C3=CC4=CC=CC=C4N3

DOS

IR

Vibrations