Geometry & MOs

Info

ID:	275287
PubChem CID:	103814988
Reduced:	OSN3C11H17 (1)
Stoich.:	ABC3D11E17 (1)
Weight, g/mol:	223.14331
ΔH_f, kcal/mol:	-31.07
Dipole, Da:	2.55
IP(EA), eV:	-9.46(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CN=C(S1)C(C)NC(=O)[C@@H]2CCCN2

DOS

IR

Vibrations