Geometry & MOs

Info

ID:	943
PubChem CID:	3559
Reduced:	ClFNO2C21H23 (1)
Stoich.:	ABCD2E21F23 (1)
Weight, g/mol:	375.140135
ΔH_f, kcal/mol:	-104.71
Dipole, Da:	2.77
IP(EA), eV:	-9.04(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one

Drug info:

PubChemData

Smile

C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations