Geometry & MOs

Info

ID:	207266
PubChem CID:	80368115
Reduced:	N2O2C6H9 (2)
Stoich.:	A2B2C6D9 (2)
Weight, g/mol:	247.106925
ΔH_f, kcal/mol:	-140.0
Dipole, Da:	12.3
IP(EA), eV:	-10.14(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-amino-4-methoxyphenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=NC(=NN1)C(=O)NC2COCC2(C)C(=O)O

DOS

IR

Vibrations