Geometry & MOs

Info

ID:	82889
PubChem CID:	49856753
Reduced:	BrFO2H10C11 (1)
Stoich.:	ABC2D10E11 (1)
Weight, g/mol:	283.02079
ΔH_f, kcal/mol:	-115.0
Dipole, Da:	2.64
IP(EA), eV:	-9.76(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-2,2-dimethyl-7-(methylamino)-3H-chromen-4-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations