Geometry & MOs

Info

ID:	253506
PubChem CID:	103118879
Reduced:	O2F3N4C8H11 (1)
Stoich.:	A2B3C4D8E11 (1)
Weight, g/mol:	268.078325
ΔH_f, kcal/mol:	-204.55
Dipole, Da:	6.77
IP(EA), eV:	-10.32(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-aminoethyl)-1-[2-(trifluoromethoxy)ethyl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C(CN)C1=C(N=NN1CCC(F)(F)F)C(=O)O

DOS

IR

Vibrations