Geometry & MOs

Info

ID:	48591
PubChem CID:	11109049
Reduced:	O3C18H26 (1)
Stoich.:	A3B18C26 (1)
Weight, g/mol:	290.188195
ΔH_f, kcal/mol:	-122.79
Dipole, Da:	3.98
IP(EA), eV:	-9.25(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,7R,8R)-2,4,6,6,7-pentamethyl-3-oxo-8-tricyclo[5.2.2.01,5]undec-4-enyl] acetate

Drug info:

PubChemData

Smile

CC1=CCC[C@]2([C@H]1C[C@@H]([C@@]3([C@@H]2C[C@H]4[C@@](C3=O)(O4)C)C)O)C

DOS

IR

Vibrations