Geometry & MOs

Info

ID:	200862
PubChem CID:	79454922
Reduced:	BrFOC13H18 (1)
Stoich.:	ABCD13E18 (1)
Weight, g/mol:	383.93142
ΔH_f, kcal/mol:	-93.94
Dipole, Da:	1.56
IP(EA), eV:	-9.62(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-bromo-2-(bromomethyl)-4-ethoxybutan-2-yl]-2-chlorobenzene

Drug info:

PubChemData

Smile

CC(C)OCCC(CBr)C1=CC=CC=C1F

DOS

IR

Vibrations