Geometry & MOs

Info

ID:	207289
PubChem CID:	80373016
Reduced:	ON5C14H19 (1)
Stoich.:	AB5C14D19 (1)
Weight, g/mol:	232.096026
ΔH_f, kcal/mol:	38.63
Dipole, Da:	2.45
IP(EA), eV:	-9.67(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-hydroxy-2,4-dimethylphenyl)-1H-1,2,4-triazole-5-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations