Geometry & MOs

Info

ID:	37416
PubChem CID:	8020841
Reduced:	NO7C21H21 (1)
Stoich.:	AB7C21D21 (1)
Weight, g/mol:	364.127051
ΔH_f, kcal/mol:	-186.3
Dipole, Da:	4.09
IP(EA), eV:	-9.21(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-methyl 3-O-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] 5-nitrobenzene-1,3-dicarboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1C)C)C(=O)COC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-])C

DOS

IR

Vibrations