Geometry & MOs

Info

ID:	83636
PubChem CID:	49859444
Reduced:	NO3C20H21 (1)
Stoich.:	AB3C20D21 (1)
Weight, g/mol:	372.339216
ΔH_f, kcal/mol:	-29.06
Dipole, Da:	3.88
IP(EA), eV:	-9.21(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-heptyl-1,5-dimethyl-6-non-1-enylbicyclo[3.2.1]oct-6-en-2-one

Drug info:

PubChemData

Smile

C[C@]12CC3=CC=CC=C3[C@@H]1CC(=O)C(=C[C@@H]2C(=O)NCC#C)OC

DOS

IR

Vibrations