Geometry & MOs

Info

ID:	85049
PubChem CID:	49871462
Reduced:	O2C15H24 (1)
Stoich.:	A2B15C24 (1)
Weight, g/mol:	236.17763
ΔH_f, kcal/mol:	-110.72
Dipole, Da:	2.81
IP(EA), eV:	-9.77(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,5S,9R)-5-methyl-2-propan-2-yl-12-oxatricyclo[7.2.1.01,5]dodecan-7-one

Drug info:

PubChemData

Smile

CC(C)[C@@H]1CC[C@@]2([C@]1(C/C=C\CC(=O)C2)O)C

DOS

IR

Vibrations