Geometry & MOs

Info

ID:	162153
PubChem CID:	57393781
Reduced:	ClN2O3C23H31 (1)
Stoich.:	AB2C3D23E31 (1)
Weight, g/mol:	588.255499
ΔH_f, kcal/mol:	-119.7
Dipole, Da:	7.16
IP(EA), eV:	-8.52(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluorophenyl)-1-[2-[2-hydroxy-3-[4-(3-methylphenyl)-4-phenylpiperazin-4-ium-1-yl]propoxy]phenyl]propan-1-one;chloride

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC(COC2=CC=CC=C2C(=O)CCC3=CC=CC=C3)O.Cl

DOS

IR

Vibrations