Geometry & MOs

Info

ID:	209510
PubChem CID:	80682198
Reduced:	ON4C11H18 (1)
Stoich.:	AB4C11D18 (1)
Weight, g/mol:	235.118158
ΔH_f, kcal/mol:	-14.88
Dipole, Da:	1.97
IP(EA), eV:	-9.11(0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CCNC(=O)[C@@H]2CCCN2

DOS

IR

Vibrations