Geometry & MOs

Info

ID:	289505
PubChem CID:	104358648
Reduced:	OBr2Cl3H9C14 (1)
Stoich.:	AB2C3D9E14 (1)
Weight, g/mol:	417.91577
ΔH_f, kcal/mol:	-13.05
Dipole, Da:	4.04
IP(EA), eV:	-9.29(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[bromo-(3-bromo-2-chlorophenyl)methyl]-2-methoxy-1,3-dimethylbenzene

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)Cl)C(C2=C(C(=CC=C2)Br)Cl)Br)Cl

DOS

IR

Vibrations