Geometry & MOs

Info

ID:	23627
PubChem CID:	605282
Reduced:	BrO3C12H13 (1)
Stoich.:	AB3C12D13 (1)
Weight, g/mol:	284.00481
ΔH_f, kcal/mol:	-119.91
Dipole, Da:	3.49
IP(EA), eV:	-8.75(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-6-hydroxy-2,2,7-trimethyl-3H-chromen-4-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=O)CC(O2)(C)C)C(=C1O)Br

DOS

IR

Vibrations