Geometry & MOs

Info

ID:	84095
PubChem CID:	49864119
Reduced:	O7C26H34 (1)
Stoich.:	A7B26C34 (1)
Weight, g/mol:	356.162374
ΔH_f, kcal/mol:	-288.04
Dipole, Da:	6.65
IP(EA), eV:	-9.54(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6aR)-3,6a-dimethyl-9-octanoylfuro[2,3-h]isochromene-6,8-dione

Drug info:

PubChemData

Smile

CCC(C)CCCCCCC(=O)/C=C(/C1=C2C=C3CC(OC=C3C(=O)[C@@]2(OC1=O)C)CO)\O

DOS

IR

Vibrations