Geometry & MOs

Info

ID:	372425
PubChem CID:	131297481
Reduced:	BrClO2C12H14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	303.98657
ΔH_f, kcal/mol:	-88.51
Dipole, Da:	3.85
IP(EA), eV:	-9.93(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(3-bromopropyl)-5-(chloromethyl)benzoate

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=C(C=C1)CCl)CCCBr

DOS

IR

Vibrations