Geometry & MOs

Info

ID:	238657
PubChem CID:	92764885
Reduced:	ClN3O3F4C22H24 (1)
Stoich.:	AB3C3D4E22F24 (1)
Weight, g/mol:	476.315127
ΔH_f, kcal/mol:	-295.29
Dipole, Da:	4.72
IP(EA), eV:	-9.08(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzhydryl-2-[4-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-methylacetamide

Drug info:

PubChemData

Smile

C1CN(CCN1C[C@H](COC2=CC=C(C=C2)F)O)CC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F

DOS

IR

Vibrations