Geometry & MOs

Info

ID:	274736
PubChem CID:	103811357
Reduced:	ON2C12H22 (1)
Stoich.:	AB2C12D22 (1)
Weight, g/mol:	237.15896
ΔH_f, kcal/mol:	-59.0
Dipole, Da:	4.6
IP(EA), eV:	-9.2(1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]piperidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1(CC1CNC(=O)CC2CCCN2)C

DOS

IR

Vibrations