Geometry & MOs

Info

ID:	226758
PubChem CID:	87558143
Reduced:	BrO3C8H9 (1)
Stoich.:	AB3C8D9 (1)
Weight, g/mol:	273.056135
ΔH_f, kcal/mol:	-87.45
Dipole, Da:	5.63
IP(EA), eV:	-9.69(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

COC1(C/C(=C/O)/C=CC1=O)Br

DOS

IR

Vibrations