Geometry & MOs

Info

ID:	254151
PubChem CID:	103123096
Reduced:	ON4C16H22 (1)
Stoich.:	AB4C16D22 (1)
Weight, g/mol:	308.109625
ΔH_f, kcal/mol:	-2.78
Dipole, Da:	6.47
IP(EA), eV:	-8.9(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=N1)C(=O)NCC3CCCCC3N

DOS

IR

Vibrations