Geometry & MOs

Info

ID:	253982
PubChem CID:	103121969
Reduced:	O2F3N4C8H11 (1)
Stoich.:	A2B3C4D8E11 (1)
Weight, g/mol:	296.067618
ΔH_f, kcal/mol:	-204.82
Dipole, Da:	5.55
IP(EA), eV:	-10.6(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(aminomethyl)-1-[2-(2-chlorophenoxy)ethyl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C(CC(F)(F)F)CN1C(=C(N=N1)C(=O)O)CN

DOS

IR

Vibrations