Geometry & MOs

Info

ID:	284281
PubChem CID:	104039422
Reduced:	NO3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	237.15896
ΔH_f, kcal/mol:	-131.69
Dipole, Da:	3.05
IP(EA), eV:	-9.44(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1,4-dimethylpiperidin-4-yl)methyl]-1H-1,2,4-triazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CCO)NC(=O)C1=CC(=CC=C1)O

DOS

IR

Vibrations