Geometry & MOs

Info

ID:	385779
PubChem CID:	134979969
Reduced:	C19H24 (1)
Stoich.:	A19B24 (1)
Weight, g/mol:	218.203451
ΔH_f, kcal/mol:	76.52
Dipole, Da:	0.97
IP(EA), eV:	-8.51(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,3R,5S,6S,7R)-3,5-diethyl-4,4-dimethyltetracyclo[5.2.1.02,6.03,5]decane

Drug info:

PubChemData

Smile

C[C@]12[C@@H]3C[C@@H]([C@@H]3[C@]1(C24CCCC4)C)C5=CC=CC=C5

DOS

IR

Vibrations