Geometry & MOs

Info

ID:	447588
PubChem CID:	135284022
Reduced:	OF2C6H7 (2)
Stoich.:	AB2C6D7 (2)
Weight, g/mol:	233.113982
ΔH_f, kcal/mol:	-299.04
Dipole, Da:	0.72
IP(EA), eV:	-9.97(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(CC(CCO)C(F)(F)F)O)F

DOS

IR

Vibrations