Geometry & MOs

Info

ID:	207223
PubChem CID:	80362265
Reduced:	O2N5C8H9 (1)
Stoich.:	A2B5C8D9 (1)
Weight, g/mol:	230.116761
ΔH_f, kcal/mol:	30.02
Dipole, Da:	5.47
IP(EA), eV:	-9.65(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-propan-2-ylphenyl)-1H-1,2,4-triazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC=CO1)NC(=O)C2=NNN=N2

DOS

IR

Vibrations