Geometry & MOs

Info

ID:	371838
PubChem CID:	131274395
Reduced:	ClOBr2H7C8 (1)
Stoich.:	ABC2D7E8 (1)
Weight, g/mol:	313.85317
ΔH_f, kcal/mol:	-25.21
Dipole, Da:	3.53
IP(EA), eV:	-9.25(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-4-(bromomethyl)-2-chloro-3-methoxybenzene

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations