Geometry & MOs

Info

ID:	185892
PubChem CID:	77366220
Reduced:	OC5H6 (5)
Stoich.:	AB5C6 (5)
Weight, g/mol:	500.245076
ΔH_f, kcal/mol:	-182.82
Dipole, Da:	3.06
IP(EA), eV:	-9.44(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4,4-bis(4-fluorophenyl)butyl]-1-[2-(2,4-difluorophenoxy)ethyl]-2-methylpiperazine

Drug info:

PubChemData

Smile

C1CC(OC2(C1)C3(CCCC(O3)C4=CC=CC=C4)OC(CO2)CO)C5=CC=CC=C5

DOS

IR

Vibrations