Geometry & MOs

Info

ID:	253930
PubChem CID:	103121650
Reduced:	ON2C3H5 (2)
Stoich.:	AB2C3D5 (2)
Weight, g/mol:	267.078996
ΔH_f, kcal/mol:	-36.78
Dipole, Da:	5.78
IP(EA), eV:	-10.31(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(aminomethyl)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCN1C(=C(N=N1)C(=O)O)CN

DOS

IR

Vibrations