Geometry & MOs

Info

ID:	239969
PubChem CID:	93375360
Reduced:	N2O3C13H18 (1)
Stoich.:	A2B3C13D18 (1)
Weight, g/mol:	209.152812
ΔH_f, kcal/mol:	-113.92
Dipole, Da:	3.34
IP(EA), eV:	-9.19(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(2S)-2-cyanopropyl]-N-methylpiperidine-2-carboxamide

Drug info:

PubChemData

Smile

CN(CC1=CC=C(C=C1)O)C(=O)[C@H]2C[C@H](CN2)O

DOS

IR

Vibrations