Geometry & MOs

Info

ID:	83097
PubChem CID:	49857142
Reduced:	BrO3C12H13 (1)
Stoich.:	AB3C12D13 (1)
Weight, g/mol:	255.98991
ΔH_f, kcal/mol:	-92.76
Dipole, Da:	1.6
IP(EA), eV:	-8.46(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-7-fluoro-2,2-dimethylchromene

Drug info:

PubChemData

Smile

CC1(C(=CC2=C(O1)C(=C(C=C2)OC)O)Br)C

DOS

IR

Vibrations