Geometry & MOs

Info

ID:	253928
PubChem CID:	103121613
Reduced:	F3O3N4C7H9 (1)
Stoich.:	A3B3C4D7E9 (1)
Weight, g/mol:	309.089561
ΔH_f, kcal/mol:	-238.97
Dipole, Da:	5.6
IP(EA), eV:	-10.79(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(aminomethyl)-1-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C(COC(F)(F)F)N1C(=C(N=N1)C(=O)O)CN

DOS

IR

Vibrations