Geometry & MOs

Info

ID:	135831
PubChem CID:	51941704
Reduced:	SN3O3C19H29 (1)
Stoich.:	AB3C3D19E29 (1)
Weight, g/mol:	358.225643
ΔH_f, kcal/mol:	-56.38
Dipole, Da:	8.09
IP(EA), eV:	-9.03(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]piperidin-1-yl]-2-(2-methylphenyl)ethanone

Drug info:

PubChemData

Smile

CC1CCN(CC1)[C@@H](CNC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])C(C)C

DOS

IR

Vibrations