Geometry & MOs

Info

ID:	200763
PubChem CID:	79439480
Reduced:	BrO2C17H17 (1)
Stoich.:	AB2C17D17 (1)
Weight, g/mol:	323.064383
ΔH_f, kcal/mol:	-53.05
Dipole, Da:	4.12
IP(EA), eV:	-9.4(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,4-dichlorophenyl)-3-(2-fluorophenyl)piperidine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCCC(C2=CC=CC=C2Br)C(=O)O

DOS

IR

Vibrations