Geometry & MOs

Info

ID:	254008
PubChem CID:	103122129
Reduced:	O3N5C11H19 (1)
Stoich.:	A3B5C11D19 (1)
Weight, g/mol:	268.078325
ΔH_f, kcal/mol:	-95.53
Dipole, Da:	4.3
IP(EA), eV:	-10.09(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C(C)N1C(=C(N=N1)C(=O)O)CN

DOS

IR

Vibrations