Geometry & MOs

Info

ID:	399105
PubChem CID:	135037818
Reduced:	O2C15H22 (1)
Stoich.:	A2B15C22 (1)
Weight, g/mol:	250.229666
ΔH_f, kcal/mol:	-106.88
Dipole, Da:	5.21
IP(EA), eV:	-9.95(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,9aS,9bR)-2,3a,6,6,9a-pentamethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran

Drug info:

PubChemData

Smile

CC(=O)CC/C=C/1\C(=O)CCC12CCCCC2

DOS

IR

Vibrations