Geometry & MOs

Info

ID:	148091
PubChem CID:	53787753
Reduced:	NBr2O6H15C20 (1)
Stoich.:	AB2C6D15E20 (1)
Weight, g/mol:	284.089603
ΔH_f, kcal/mol:	-182.5
Dipole, Da:	3.61
IP(EA), eV:	-9.59(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dihydroxyfuran-2-yl)-3-methylcyclohexane-1,2-dicarboxylic acid

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1C(=O)CO)C(=CC3=CC(=C(C(=C3)Br)CCOC(=O)O)Br)C(=O)N2

DOS

IR

Vibrations