Geometry & MOs

Info

ID:	64819
PubChem CID:	29204042
Reduced:	N2O3C20H30 (1)
Stoich.:	A2B3C20D30 (1)
Weight, g/mol:	406.246772
ΔH_f, kcal/mol:	-142.86
Dipole, Da:	1.68
IP(EA), eV:	-9.14(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3,4,5-trimethoxybenzamide

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](CN(C1)C(=O)[C@H](C(C)C)NC(=O)C2=CC=CC=C2OC)C

DOS

IR

Vibrations