Geometry & MOs

Info

ID:	82888
PubChem CID:	49856752
Reduced:	BrO4C12H13 (1)
Stoich.:	AB4C12D13 (1)
Weight, g/mol:	271.98482
ΔH_f, kcal/mol:	-142.03
Dipole, Da:	2.34
IP(EA), eV:	-8.8(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-7-fluoro-2,2-dimethyl-3H-chromen-4-one

Drug info:

PubChemData

Smile

CC1(C(C(=O)C2=C(O1)C(=C(C=C2)OC)O)Br)C

DOS

IR

Vibrations