Geometry & MOs

Info

ID:	251410
PubChem CID:	103103754
Reduced:	N3O4C11H13 (1)
Stoich.:	A3B4C11D13 (1)
Weight, g/mol:	255.096754
ΔH_f, kcal/mol:	-136.72
Dipole, Da:	8.43
IP(EA), eV:	-10.0(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(2-amino-2-oxoethyl)-ethylamino]-2-oxoethyl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCN(CC(=O)N)C(=O)C1=NC(=CC=C1)C(=O)O

DOS

IR

Vibrations