Geometry & MOs

Info

ID:	4808
PubChem CID:	12070
Reduced:	BrO2H7C8 (1)
Stoich.:	AB2C7D8 (1)
Weight, g/mol:	213.96294
ΔH_f, kcal/mol:	-57.95
Dipole, Da:	0.59
IP(EA), eV:	-9.96(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-bromobenzoate

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=CC=C1)Br

DOS

IR

Vibrations