Geometry & MOs

Info

ID:	162156
PubChem CID:	57393787
Reduced:	FN2O4C29H33 (1)
Stoich.:	AB2C4D29E33 (1)
Weight, g/mol:	436.192899
ΔH_f, kcal/mol:	-136.71
Dipole, Da:	4.66
IP(EA), eV:	-8.04(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluorophenyl)-1-[2-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenyl]propan-1-one;hydrochloride

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CCN(CC2)CC(COC3=CC=CC=C3C(=O)CCC4=CC=C(C=C4)F)O

DOS

IR

Vibrations