Geometry & MOs

Info

ID:	199956
PubChem CID:	79322847
Reduced:	NC10H21 (1)
Stoich.:	AB10C21 (1)
Weight, g/mol:	309.16079
ΔH_f, kcal/mol:	-30.17
Dipole, Da:	2.15
IP(EA), eV:	-9.19(1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-aminopiperidin-1-yl)-N-[(2-chlorophenyl)methyl]-N-ethylacetamide

Drug info:

PubChemData

Smile

CCC(C)/C=C(/CN)\C(C)C

DOS

IR

Vibrations