Geometry & MOs

Info

ID:	18415
PubChem CID:	540670
Reduced:	NO8C13H13 (1)
Stoich.:	AB8C13D13 (1)
Weight, g/mol:	311.064116
ΔH_f, kcal/mol:	-233.24
Dipole, Da:	2.51
IP(EA), eV:	-10.42(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 3-acetyloxy-5-methyl-4-nitrobenzene-1,2-dicarboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1[N+](=O)[O-])OC(=O)C)C(=O)OC)C(=O)OC

DOS

IR

Vibrations