Geometry & MOs

Info

ID:	373270
PubChem CID:	131312467
Reduced:	ClNO2F3H5C9 (1)
Stoich.:	ABC2D3E5F9 (1)
Weight, g/mol:	227.11217
ΔH_f, kcal/mol:	-196.99
Dipole, Da:	3.56
IP(EA), eV:	-9.95(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(difluoromethyl)-2-[(2S)-piperidin-2-yl]phenol

Drug info:

PubChemData

Smile

C1=C(C(=CC(=C1Cl)O)C(F)(F)F)C(C#N)O

DOS

IR

Vibrations