Geometry & MOs

Info

ID:	18345
PubChem CID:	539770
Reduced:	BrO3C7H7 (1)
Stoich.:	AB3C7D7 (1)
Weight, g/mol:	217.95786
ΔH_f, kcal/mol:	-103.7
Dipole, Da:	7.36
IP(EA), eV:	-9.29(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-methoxy-6-methylpyran-2-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations