Geometry & MOs

Info

ID:	253524
PubChem CID:	103119016
Reduced:	O3N4C9H16 (1)
Stoich.:	A3B4C9D16 (1)
Weight, g/mol:	274.142976
ΔH_f, kcal/mol:	-99.82
Dipole, Da:	8.3
IP(EA), eV:	-9.8(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-aminoethyl)-1-[(3,4-dimethylphenyl)methyl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(CN1C(=C(N=N1)C(=O)O)CCN)O

DOS

IR

Vibrations