Geometry & MOs

Info

ID:	150855
PubChem CID:	53790552
Reduced:	NO6C12H15 (1)
Stoich.:	AB6C12D15 (1)
Weight, g/mol:	281.93501
ΔH_f, kcal/mol:	-162.78
Dipole, Da:	7.08
IP(EA), eV:	-9.64(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-sulfanylnaphthalene-1-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)COC1=C(C(=C(C=C1C)[N+](=O)[O-])O)C

DOS

IR

Vibrations