Geometry & MOs

Info

ID:	296710
PubChem CID:	117589531
Reduced:	O3N4C13H16 (1)
Stoich.:	A3B4C13D16 (1)
Weight, g/mol:	304.153541
ΔH_f, kcal/mol:	-42.87
Dipole, Da:	6.18
IP(EA), eV:	-8.92(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethylphenyl)-5-[ethyl(2-hydroxyethyl)amino]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCN(CCO)C1=NN(N=C1C(=O)O)C2=CC=CC=C2

DOS

IR

Vibrations