Geometry & MOs

Info

ID:	23422
PubChem CID:	603450
Reduced:	ClNO4H8C9 (1)
Stoich.:	ABC4D8E9 (1)
Weight, g/mol:	229.014185
ΔH_f, kcal/mol:	-75.69
Dipole, Da:	3.8
IP(EA), eV:	-10.62(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-chloro-2-nitrobenzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations