Geometry & MOs

Info

ID:	60762
PubChem CID:	26701967
Reduced:	N2O6H20C23 (1)
Stoich.:	A2B6C20D23 (1)
Weight, g/mol:	403.090331
ΔH_f, kcal/mol:	-102.52
Dipole, Da:	7.5
IP(EA), eV:	-8.69(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 5-(4-ethoxy-3-nitrobenzoyl)oxybenzene-1,3-dicarboxylate

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)NC(=O)C3=CC=CC(=C3)C)[N+](=O)[O-]

DOS

IR

Vibrations