Geometry & MOs

Info

ID:	389564
PubChem CID:	134993734
Reduced:	SC11H22 (1)
Stoich.:	AB11C22 (1)
Weight, g/mol:	174.140851
ΔH_f, kcal/mol:	-29.67
Dipole, Da:	1.83
IP(EA), eV:	-8.52(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4R,6S,7R)-8-tert-butyltetracyclo[4.3.0.02,4.03,7]non-8-ene

Drug info:

PubChemData

Smile

CCCCC(=C)CCCSCC

DOS

IR

Vibrations