Geometry & MOs

Info

ID:	253562
PubChem CID:	103119266
Reduced:	O3N4C13H16 (1)
Stoich.:	A3B4C13D16 (1)
Weight, g/mol:	283.16444
ΔH_f, kcal/mol:	-48.74
Dipole, Da:	4.73
IP(EA), eV:	-9.21(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-aminoethyl)-1-[2-oxo-2-(pentan-2-ylamino)ethyl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCCN2C(=C(N=N2)C(=O)O)CCN

DOS

IR

Vibrations