Geometry & MOs

Info

ID:	385944
PubChem CID:	134980377
Reduced:	O4C17H26 (1)
Stoich.:	A4B17C26 (1)
Weight, g/mol:	120.0939
ΔH_f, kcal/mol:	-202.23
Dipole, Da:	0.68
IP(EA), eV:	-9.08(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,4R,5S)-2-methyltricyclo[3.2.1.02,4]oct-6-ene

Drug info:

PubChemData

Smile

CC(=C1CC(CC12CCCCC2)(C(=O)OC)C(=O)OC)C

DOS

IR

Vibrations