Geometry & MOs

Info

ID:	150421
PubChem CID:	53790111
Reduced:	FC2H3O3 (1)
Stoich.:	AB2C3D3 (1)
Weight, g/mol:	246.027671
ΔH_f, kcal/mol:	-182.09
Dipole, Da:	1.35
IP(EA), eV:	-12.22(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5-dinitronaphthalene-1-carbaldehyde

Drug info:

PubChemData

Smile

C(OC(=O)O)F

DOS

IR

Vibrations