Geometry & MOs

Info

ID:	305554
PubChem CID:	124959599
Reduced:	OSN3C19H19 (1)
Stoich.:	ABC3D19E19 (1)
Weight, g/mol:	534.15181
ΔH_f, kcal/mol:	35.33
Dipole, Da:	3.03
IP(EA), eV:	-9.1(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-2-[(3S)-1-(2-bromobenzoyl)-3-(phenoxymethyl)piperidin-3-yl]-N-methylacetamide

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)C(=O)C2=CN=CS2)CC3=CN=CC4=CC=CC=C43

DOS

IR

Vibrations