Geometry & MOs

Info

ID:	5529
PubChem CID:	13281
Reduced:	NO5C11H11 (1)
Stoich.:	AB5C11D11 (1)
Weight, g/mol:	237.063722
ΔH_f, kcal/mol:	-111.25
Dipole, Da:	5.83
IP(EA), eV:	-10.78(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(4-nitrophenyl)-3-oxopropanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations