Geometry & MOs

Info

ID:	10315
PubChem CID:	100209
Reduced:	BrCl4C10H13 (1)
Stoich.:	AB4C10D13 (1)
Weight, g/mol:	353.89252
ΔH_f, kcal/mol:	-49.09
Dipole, Da:	5.38
IP(EA), eV:	-10.01(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(bromomethyl)-1,2,4-trichloro-5-(2-chloroethenyl)-5-methylcyclohexane

Drug info:

PubChemData

Smile

CC1(CC(C(CC1Cl)Cl)(CBr)Cl)C=CCl

DOS

IR

Vibrations