Geometry & MOs

Info

ID:	1906
PubChem CID:	5310
Reduced:	OC15H22 (1)
Stoich.:	AB15C22 (1)
Weight, g/mol:	218.167065
ΔH_f, kcal/mol:	-47.39
Dipole, Da:	3.78
IP(EA), eV:	-9.87(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9,11,11-trimethyl-2-methylidenetricyclo[4.3.2.01,5]undecan-3-one

Drug info:

PubChemData

Smile

CC1CCC2C3C1(CC2(C)C)C(=C)C(=O)C3

DOS

IR

Vibrations