Geometry & MOs

Info

ID:	216417
PubChem CID:	85086204
Reduced:	O4C15H22 (1)
Stoich.:	A4B15C22 (1)
Weight, g/mol:	266.151809
ΔH_f, kcal/mol:	-155.8
Dipole, Da:	2.24
IP(EA), eV:	-10.0(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5a-ethyl-3,9-dimethyl-3,3a,4,5,6,9,9a,9b-octahydrofuro[2,3-f]isochromene-2,8-dione

Drug info:

PubChemData

Smile

CC1(C2CC3CCCC(C3C1=O)C2C(=O)OC)CO

DOS

IR

Vibrations