Geometry & MOs

Info

ID:	127756
PubChem CID:	51014027
Reduced:	O2C15H20 (1)
Stoich.:	A2B15C20 (1)
Weight, g/mol:	162.104465
ΔH_f, kcal/mol:	-100.38
Dipole, Da:	3.43
IP(EA), eV:	-9.61(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4S)-1,3-dimethyl-8-methylidenebicyclo[2.2.2]oct-5-en-2-one

Drug info:

PubChemData

Smile

CC1=C[C@]2(CC(=O)[C@H]1[C@H]3[C@@H]2C(=O)C(C3)(C)C)C

DOS

IR

Vibrations