Geometry & MOs

Info

ID:	385830
PubChem CID:	134980097
Reduced:	SC11H22 (1)
Stoich.:	AB11C22 (1)
Weight, g/mol:	194.13068
ΔH_f, kcal/mol:	-30.0
Dipole, Da:	1.55
IP(EA), eV:	-8.48(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,5S,6S)-2,2,5-trimethyl-6-bicyclo[3.2.0]hept-3-enyl] acetate

Drug info:

PubChemData

Smile

CCCCC=CCCCSCC

DOS

IR

Vibrations