Geometry & MOs

Info

ID:	161602
PubChem CID:	57392114
Reduced:	ClFN2O4C29H32 (1)
Stoich.:	ABC2D4E29F32 (1)
Weight, g/mol:	490.226786
ΔH_f, kcal/mol:	-176.13
Dipole, Da:	5.72
IP(EA), eV:	-9.08(-0.92)
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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations