Geometry & MOs

Info

ID:	427301
PubChem CID:	135156775
Reduced:	NOC10H16 (2)
Stoich.:	ABC10D16 (2)
Weight, g/mol:	286.179361
ΔH_f, kcal/mol:	-113.3
Dipole, Da:	1.72
IP(EA), eV:	-8.78(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,3R)-3-aminocyclohexyl]-N-ethyl-1H-benzimidazole-2-carboxamide

Drug info:

PubChemData

Smile

CCN[C@H]1CCC[C@H](C1)N(CC2=CC=CC=C2)C(=O)OC(C)(C)C

DOS

IR

Vibrations