Geometry & MOs

Info

ID:	23119
PubChem CID:	602110
Reduced:	NO7C13H13 (1)
Stoich.:	AB7C13D13 (1)
Weight, g/mol:	295.069202
ΔH_f, kcal/mol:	-173.25
Dipole, Da:	7.82
IP(EA), eV:	-10.18(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(5-methoxy-2-nitrophenyl)-2,4-dioxobutanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations