Geometry & MOs

Info

ID:	139690
PubChem CID:	52581169
Reduced:	F3N3O3H22C23 (1)
Stoich.:	A3B3C3D22E23 (1)
Weight, g/mol:	463.122961
ΔH_f, kcal/mol:	-224.94
Dipole, Da:	3.85
IP(EA), eV:	-9.44(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)C2CC2)C(=O)NC3=CC=CC(=C3)C(=O)NC4=CC=CC(=C4)C(F)(F)F

DOS

IR

Vibrations