Geometry & MOs

Info

ID:	24052
PubChem CID:	607565
Reduced:	BrO3H13C15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	320.00481
ΔH_f, kcal/mol:	-70.72
Dipole, Da:	1.31
IP(EA), eV:	-8.69(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methoxyphenyl) 2-(bromomethyl)benzoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2CBr

DOS

IR

Vibrations