Geometry & MOs

Info

ID:	234571
PubChem CID:	92298716
Reduced:	NO6H17C20 (1)
Stoich.:	AB6C17D20 (1)
Weight, g/mol:	245.177964
ΔH_f, kcal/mol:	-152.01
Dipole, Da:	6.74
IP(EA), eV:	-9.38(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-(4-methylphenyl)ethanone

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=N/C(=C/C3=CC(=C(C=C3)OCC(=O)O)OC)/C(=O)O2

DOS

IR

Vibrations