Geometry & MOs

Info

ID:	147612
PubChem CID:	53787268
Reduced:	BrNOF2H8C11 (1)
Stoich.:	ABCD2E8F11 (1)
Weight, g/mol:	238.047738
ΔH_f, kcal/mol:	-102.51
Dipole, Da:	5.1
IP(EA), eV:	-9.92(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-diacetyl-5,6-dihydroxybenzoic acid

Drug info:

PubChemData

Smile

C1C(C(=CC(=O)N)C2=C1C(=CC(=C2)F)F)Br

DOS

IR

Vibrations