Geometry & MOs

Info

ID:	439233
PubChem CID:	135229000
Reduced:	FPO3C10H17 (1)
Stoich.:	ABC3D10E17 (1)
Weight, g/mol:	301.165349
ΔH_f, kcal/mol:	-212.06
Dipole, Da:	5.27
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.759600
Charge, e:	0

Chem-info

IUPAC name:

1-(4-ethylpiperidin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanol

Drug info:

PubChemData

Smile

CC1(CCC(CC1)C(=O)C[P+](=O)OC)F

DOS

IR

Vibrations