Geometry & MOs

Info

ID:	82987
PubChem CID:	49856945
Reduced:	BrO4C12H15 (1)
Stoich.:	AB4C12D15 (1)
Weight, g/mol:	274.00047
ΔH_f, kcal/mol:	-157.36
Dipole, Da:	0.59
IP(EA), eV:	-8.57(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations