Geometry & MOs

Info

ID:	4706
PubChem CID:	11894
Reduced:	BrO2H7C8 (1)
Stoich.:	AB2C7D8 (1)
Weight, g/mol:	213.96294
ΔH_f, kcal/mol:	-55.62
Dipole, Da:	3.18
IP(EA), eV:	-9.91(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-bromobenzoate

Drug info:

PubChemData

Smile

COC(=O)C1=CC=CC=C1Br

DOS

IR

Vibrations