Geometry & MOs

Info

ID:	160946
PubChem CID:	57390338
Reduced:	ClFN2O3C23H30 (1)
Stoich.:	ABC2D3E23F30 (1)
Weight, g/mol:	400.216221
ΔH_f, kcal/mol:	-161.97
Dipole, Da:	1.93
IP(EA), eV:	-8.35(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-fluoro-2-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenyl]-3-phenylpropan-1-one

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC(COC2=C(C=C(C=C2)F)C(=O)CCC3=CC=CC=C3)O.Cl

DOS

IR

Vibrations