Geometry & MOs

Info

ID:	399681
PubChem CID:	135041745
Reduced:	OC15H24 (1)
Stoich.:	AB15C24 (1)
Weight, g/mol:	178.135765
ΔH_f, kcal/mol:	-59.73
Dipole, Da:	3.57
IP(EA), eV:	-9.05(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,6R)-10,10-dimethyltricyclo[4.4.0.01,5]decan-4-one

Drug info:

PubChemData

Smile

C/C/1=C(/CC(=C)C(CCC1)(C)C)\CC(=O)C

DOS

IR

Vibrations