Geometry & MOs

Info

ID:	23480
PubChem CID:	603925
Reduced:	BrOH3C4 (2)
Stoich.:	ABC3D4 (2)
Weight, g/mol:	293.87141
ΔH_f, kcal/mol:	24.65
Dipole, Da:	1.86
IP(EA), eV:	-9.36(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,7-dibromo-2-methoxycyclohepta-2,4,6-trien-1-one

Drug info:

PubChemData

Smile

COC1=C(C=CC=C(C1=O)Br)Br

DOS

IR

Vibrations