Geometry & MOs

Info

ID:	200865
PubChem CID:	79455789
Reduced:	BrFC6H7 (2)
Stoich.:	ABC6D7 (2)
Weight, g/mol:	441.89655
ΔH_f, kcal/mol:	-95.57
Dipole, Da:	3.2
IP(EA), eV:	-9.89(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-3-[1-bromo-2-(bromomethyl)-4-propan-2-yloxybutan-2-yl]benzene

Drug info:

PubChemData

Smile

CCC(CC1=C(C=C(C=C1)F)F)(CBr)CBr

DOS

IR

Vibrations