Geometry & MOs

Info

ID:	447580
PubChem CID:	135283980
Reduced:	FNSO4C20H22 (1)
Stoich.:	ABCD4E20F22 (1)
Weight, g/mol:	233.113982
ΔH_f, kcal/mol:	-176.98
Dipole, Da:	6.42
IP(EA), eV:	-9.25(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CS(=O)(=O)C1CCN([C@H](C1)C2=CC=C(C=C2)F)C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations