Geometry & MOs

Info

ID:	217599
PubChem CID:	85088085
Reduced:	BrO3C19H25 (1)
Stoich.:	AB3C19D25 (1)
Weight, g/mol:	381.107319
ΔH_f, kcal/mol:	-122.51
Dipole, Da:	5.47
IP(EA), eV:	-9.58(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2,4-dinitrophenyl)hydrazinylidene]-4-(ethylamino)naphthalen-2-one

Drug info:

PubChemData

Smile

CCCCC(=CC(C1=CC=CC=C1)C(C(=O)C)C(=O)OCC)Br

DOS

IR

Vibrations