Geometry & MOs

Info

ID:	297001
PubChem CID:	117605432
Reduced:	BrN2O5H9C10 (1)
Stoich.:	AB2C5D9E10 (1)
Weight, g/mol:	344.125988
ΔH_f, kcal/mol:	-81.39
Dipole, Da:	6.71
IP(EA), eV:	-10.18(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1-bis(3,4-dihydroxyphenyl)heptane-3,5-dione

Drug info:

PubChemData

Smile

C1C(CN1C(=O)O)OC2=CC(=CC(=C2)[N+](=O)[O-])Br

DOS

IR

Vibrations