Geometry & MOs

Info

ID:	254164
PubChem CID:	103123202
Reduced:	ON4C10H18 (1)
Stoich.:	AB4C10D18 (1)
Weight, g/mol:	324.086781
ΔH_f, kcal/mol:	-19.46
Dipole, Da:	6.78
IP(EA), eV:	-9.02(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(CNC(=O)C1=NN(C=C1)C)N

DOS

IR

Vibrations