Geometry & MOs

Info

ID:	404380
PubChem CID:	135066051
Reduced:	BrClOC12H16 (1)
Stoich.:	ABCD12E16 (1)
Weight, g/mol:	228.091708
ΔH_f, kcal/mol:	-60.78
Dipole, Da:	1.97
IP(EA), eV:	-9.52(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-2-bicyclo[2.2.1]heptanyl)pentane-2,4-dione

Drug info:

PubChemData

Smile

C[C@](CO)([C@@H](CCC1=CC=CC=C1)Br)Cl

DOS

IR

Vibrations