Geometry & MOs

Info

ID:	207200
PubChem CID:	80360469
Reduced:	OSN4C13H14 (1)
Stoich.:	ABC4D13E14 (1)
Weight, g/mol:	273.122575
ΔH_f, kcal/mol:	28.57
Dipole, Da:	3.18
IP(EA), eV:	-8.46(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(propylcarbamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)N)NC(=O)C2CSC3=CC=CC=C23

DOS

IR

Vibrations