Geometry & MOs

Info

ID:	64817
PubChem CID:	29204040
Reduced:	NOC9H12 (2)
Stoich.:	ABC9D12 (2)
Weight, g/mol:	346.225643
ΔH_f, kcal/mol:	-72.09
Dipole, Da:	5.97
IP(EA), eV:	-8.9(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide

Drug info:

PubChemData

Smile

C[C@H]1C[C@@H](CN(C1)C(=O)/C(=C/C2=CC=CC=C2)/NC(=O)C)C

DOS

IR

Vibrations