Geometry & MOs

Info

ID:	22878
PubChem CID:	599353
Reduced:	BrO2H9C11 (1)
Stoich.:	AB2C9D11 (1)
Weight, g/mol:	251.97859
ΔH_f, kcal/mol:	-48.6
Dipole, Da:	4.73
IP(EA), eV:	-9.59(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(bromomethyl)-2-methylchromen-4-one

Drug info:

PubChemData

Smile

CC1=C(C(=O)C2=CC=CC=C2O1)CBr

DOS

IR

Vibrations