Geometry & MOs

Info

ID:	386366
PubChem CID:	134981525
Reduced:	OC12H20 (1)
Stoich.:	AB12C20 (1)
Weight, g/mol:	214.03571
ΔH_f, kcal/mol:	-64.47
Dipole, Da:	0.84
IP(EA), eV:	-8.74(1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3E,4S)-3-(bromomethylidene)-2,2-dimethylbicyclo[2.2.1]heptane

Drug info:

PubChemData

Smile

CCCCC1=CC[C@H]2CCC[C@@H]2O1

DOS

IR

Vibrations