Geometry & MOs

Info

ID:	162186
PubChem CID:	57393881
Reduced:	ClF2N2O3C29H33 (1)
Stoich.:	AB2C2D3E29F33 (1)
Weight, g/mol:	495.233348
ΔH_f, kcal/mol:	-192.65
Dipole, Da:	1.22
IP(EA), eV:	-8.81(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[3-[4-(4-aminophenyl)piperazin-1-yl]-2-hydroxypropoxy]-5-fluorophenyl]-3-(4-fluorophenyl)propan-1-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2CCN(CC2)CC(COC3=C(C=C(C=C3)F)C(=O)CCC4=CC=C(C=C4)F)O.Cl

DOS

IR

Vibrations