Geometry & MOs

Info

ID:	431148
PubChem CID:	135171218
Reduced:	ClON5C22H24 (1)
Stoich.:	ABC5D22E24 (1)
Weight, g/mol:	441.216475
ΔH_f, kcal/mol:	39.55
Dipole, Da:	2.94
IP(EA), eV:	-8.76(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,3R)-3-(1-benzofuran-2-ylmethylamino)cyclohexyl]-6-cyano-N-ethyl-1H-benzimidazole-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations