Geometry & MOs

Info

ID:	430970
PubChem CID:	135171040
Reduced:	NOC8H10 (2)
Stoich.:	ABC8D10 (2)
Weight, g/mol:	406.236876
ΔH_f, kcal/mol:	-56.73
Dipole, Da:	2.53
IP(EA), eV:	-8.76(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN([C@@H]1CCCOC1)C(=O)C2=CC3=CC=CC=C3N2

DOS

IR

Vibrations