Geometry & MOs

Info

ID:	424122
PubChem CID:	135121412
Reduced:	BrNOH6C10 (1)
Stoich.:	ABCD6E10 (1)
Weight, g/mol:	208.073559
ΔH_f, kcal/mol:	45.79
Dipole, Da:	2.83
IP(EA), eV:	-10.05(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dihydroxyphenyl)oxan-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)/C=C(/C=O)\C#N)Br

DOS

IR

Vibrations