Geometry & MOs

Info

ID:	6551
PubChem CID:	68855
Reduced:	FN2O3C30H35 (1)
Stoich.:	AB2C3D30E35 (1)
Weight, g/mol:	490.263171
ΔH_f, kcal/mol:	-88.88
Dipole, Da:	3.35
IP(EA), eV:	-8.39(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-4-[4-[2-[(4-methoxyphenyl)-phenylmethoxy]ethyl]piperazin-1-yl]butan-1-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(C2=CC=CC=C2)OCCN3CCN(CC3)CCCC(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations