Geometry & MOs

Info

ID:	24183
PubChem CID:	608317
Reduced:	Br2O2H8C9 (1)
Stoich.:	A2B2C8D9 (1)
Weight, g/mol:	307.88706
ΔH_f, kcal/mol:	-60.51
Dipole, Da:	1.88
IP(EA), eV:	-9.97(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromoethyl 3-bromobenzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations