Geometry & MOs

Info

ID:	31131
PubChem CID:	854707
Reduced:	O4C17H18 (1)
Stoich.:	A4B17C18 (1)
Weight, g/mol:	268.109944
ΔH_f, kcal/mol:	-144.46
Dipole, Da:	5.93
IP(EA), eV:	-9.06(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9,10-dimethyl-1,2,3,4-tetrahydro-[1]benzofuro[6,5-c]isochromen-5-one

Drug info:

PubChemData

Smile

CCC1=CC(=O)OC2=C1C=CC(=C2)O[C@@H]3CCCCC3=O

DOS

IR

Vibrations