Geometry & MOs

Info

ID:	18416
PubChem CID:	540671
Reduced:	NO8C15H17 (1)
Stoich.:	AB8C15D17 (1)
Weight, g/mol:	339.095417
ΔH_f, kcal/mol:	-250.86
Dipole, Da:	4.93
IP(EA), eV:	-10.48(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-methyl 4-O-propan-2-yl 3-acetyloxy-5-methyl-2-nitrobenzene-1,4-dicarboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations