Geometry & MOs

Info

ID:	225225
PubChem CID:	85747992
Reduced:	NO2C13H15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	361.053255
ΔH_f, kcal/mol:	-62.07
Dipole, Da:	4.91
IP(EA), eV:	-8.74(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-3-[(4-fluorophenyl)hydrazinylidene]-4-oxonaphthalene-2-sulfonic acid

Drug info:

PubChemData

Smile

CC1=CCC(C(=O)N1)C2=CC=C(C=C2)OC

DOS

IR

Vibrations