Geometry & MOs

Info

ID:	139691
PubChem CID:	52581173
Reduced:	FCl2O2N3C23H24 (1)
Stoich.:	AB2C2D3E23F24 (1)
Weight, g/mol:	463.122961
ΔH_f, kcal/mol:	-102.58
Dipole, Da:	6.64
IP(EA), eV:	-8.22(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-1-(3,4-dichlorobenzoyl)piperidin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)C(=O)C2=CC(=C(C=C2)Cl)Cl)C(=O)N3CCN(CC3)C4=CC=C(C=C4)F

DOS

IR

Vibrations