Geometry & MOs

Info

ID:	283500
PubChem CID:	103985093
Reduced:	ClOC12H17 (1)
Stoich.:	ABC12D17 (1)
Weight, g/mol:	323.96833
ΔH_f, kcal/mol:	-50.8
Dipole, Da:	1.41
IP(EA), eV:	-9.34(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-3-[1-chloro-2-(chloromethyl)-3-ethoxypropan-2-yl]benzene

Drug info:

PubChemData

Smile

CCOCC(CC1=CC=CC=C1)CCl

DOS

IR

Vibrations