Geometry & MOs

Info

ID:	253531
PubChem CID:	103119058
Reduced:	ON2C5H9 (2)
Stoich.:	AB2C5D9 (2)
Weight, g/mol:	253.063346
ΔH_f, kcal/mol:	-60.3
Dipole, Da:	6.2
IP(EA), eV:	-10.02(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-aminoethyl)-1-(1,3-thiazol-2-ylmethyl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCC(CC)N1C(=C(N=N1)C(=O)O)CCN

DOS

IR

Vibrations