Geometry & MOs

Info

ID:	198837
PubChem CID:	79159901
Reduced:	N3O3C13H17 (1)
Stoich.:	A3B3C13D17 (1)
Weight, g/mol:	277.215413
ΔH_f, kcal/mol:	-108.94
Dipole, Da:	3.96
IP(EA), eV:	-9.44(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyano-4-ethylcyclohexyl)-4-methylpiperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)NC2=C(C=CN=C2)C(=O)O

DOS

IR

Vibrations