Geometry & MOs

Info

ID:	163483
PubChem CID:	58003007
Reduced:	O2F3C27H33 (1)
Stoich.:	A2B3C27D33 (1)
Weight, g/mol:	563.262284
ΔH_f, kcal/mol:	-263.33
Dipole, Da:	6.01
IP(EA), eV:	-8.8(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[3-[4-(trifluoromethyl)phenyl]-5-[1-[1-[4-(trifluoromethyl)phenyl]propyl]piperidin-3-yl]phenyl]butan-1-ol

Drug info:

PubChemData

Smile

CC(C)C1=CC2=C([C@H](CC(O2)(C)C)O)C(=C1CC3=CC=C(C=C3)C(F)(F)F)C4CCCC4

DOS

IR

Vibrations