Geometry & MOs

Info

ID:	430846
PubChem CID:	135170913
Reduced:	ON4C24H28 (1)
Stoich.:	AB4C24D28 (1)
Weight, g/mol:	401.221561
ΔH_f, kcal/mol:	22.12
Dipole, Da:	3.53
IP(EA), eV:	-8.28(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations