Geometry & MOs

Info

ID:	51460
PubChem CID:	12014130
Reduced:	BrCl2C11H13 (1)
Stoich.:	AB2C11D13 (1)
Weight, g/mol:	323.95474
ΔH_f, kcal/mol:	-28.04
Dipole, Da:	3.57
IP(EA), eV:	-9.4(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4R)-1-[(1R)-1,2-dibromoethyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=C1CCl)C)Br)C)CCl

DOS

IR

Vibrations