Geometry & MOs

Info

ID:	403553
PubChem CID:	135060772
Reduced:	OC18H28 (1)
Stoich.:	AB18C28 (1)
Weight, g/mol:	326.260966
ΔH_f, kcal/mol:	-39.48
Dipole, Da:	1.69
IP(EA), eV:	-8.5(1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,9S)-7-cyclopentyl-9-hexyltricyclo[7.2.1.01,6]dodeca-4,6-dien-10-one

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H]([C@@H](C1)O/C=C\2/CC3CC2C=C3)C(C)C

DOS

IR

Vibrations