Geometry & MOs

Info

ID:	170308
PubChem CID:	75215541
Reduced:	O2C11H16 (2)
Stoich.:	A2B11C16 (2)
Weight, g/mol:	344.235145
ΔH_f, kcal/mol:	-196.56
Dipole, Da:	3.32
IP(EA), eV:	-9.77(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3a,10-dimethyl-6-methylidene-2-oxo-1-propan-2-ylidene-3,4,5,7,8,11,12,12a-octahydrocyclopenta[11]annulen-5-yl) acetate

Drug info:

PubChemData

Smile

CC1CCC2C(=C(C)C)C(=O)CC2(CC(C(=C)CCC1=O)OC(=O)C)C

DOS

IR

Vibrations