Geometry & MOs

Info

ID:	206713
PubChem CID:	80288619
Reduced:	OBr2C16H16 (1)
Stoich.:	AB2C16D16 (1)
Weight, g/mol:	383.95474
ΔH_f, kcal/mol:	-6.03
Dipole, Da:	3.44
IP(EA), eV:	-9.1(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-1-[bromo-(2-methylphenyl)methyl]-4-ethoxybenzene

Drug info:

PubChemData

Smile

CCOC1=CC(=C(C=C1)C(CC2=CC=CC=C2)Br)Br

DOS

IR

Vibrations