Geometry & MOs

Info

ID:	8981
PubChem CID:	84513
Reduced:	OBr2C8H8 (1)
Stoich.:	AB2C8D8 (1)
Weight, g/mol:	279.89214
ΔH_f, kcal/mol:	-20.21
Dipole, Da:	2.12
IP(EA), eV:	-9.13(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dibromo-5-methoxy-2-methylbenzene

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1Br)OC)Br

DOS

IR

Vibrations