Geometry & MOs

Info

ID:	303784
PubChem CID:	124490173
Reduced:	BrC6H10 (2)
Stoich.:	AB6C10 (2)
Weight, g/mol:	218.203451
ΔH_f, kcal/mol:	-23.3
Dipole, Da:	2.85
IP(EA), eV:	-10.03(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,6S,8R,9S,10R,14R)-2,9-dimethyltetracyclo[6.6.0.02,6.010,14]tetradecane

Drug info:

PubChemData

Smile

C[C@@]12CC[C@H](C[C@@H]1C2(Br)Br)C(C)(C)C

DOS

IR

Vibrations