Geometry & MOs

Info

ID:	161601
PubChem CID:	57392112
Reduced:	ClN2O3F4C29H31 (1)
Stoich.:	AB2C3D4E29F31 (1)
Weight, g/mol:	526.203463
ΔH_f, kcal/mol:	-299.04
Dipole, Da:	7.45
IP(EA), eV:	-9.23(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[3-(4-benzoylpiperazin-1-yl)-2-hydroxypropoxy]-5-fluorophenyl]-3-phenylpropan-1-one;hydrochloride

Drug info:

PubChemData

Smile

C1CN(CCN1CC(COC2=C(C=C(C=C2)F)C(=O)CCC3=CC=CC=C3)O)C4=CC=C(C=C4)C(F)(F)F.Cl

DOS

IR

Vibrations