Geometry & MOs

Info

ID:	37292
PubChem CID:	8019172
Reduced:	NSO6C20H21 (1)
Stoich.:	ABC6D20E21 (1)
Weight, g/mol:	331.262363
ΔH_f, kcal/mol:	-156.12
Dipole, Da:	2.48
IP(EA), eV:	-8.68(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[methyl-(1-methylpiperidin-4-yl)amino]-N-[(2S)-4-phenylbutan-2-yl]propanamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)CCC(=O)OCC2=COC(=N2)C3=CC=CS3

DOS

IR

Vibrations