Geometry & MOs

Info

ID:	18529
PubChem CID:	542321
Reduced:	NO5C10H11 (1)
Stoich.:	AB5C10D11 (1)
Weight, g/mol:	225.063722
ΔH_f, kcal/mol:	-87.86
Dipole, Da:	7.28
IP(EA), eV:	-10.09(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methoxyethoxy)-3-nitrobenzaldehyde

Drug info:

PubChemData

Smile

COCCOC1=C(C=C(C=C1)C=O)[N+](=O)[O-]

DOS

IR

Vibrations