Geometry & MOs

Info

ID:	386882
PubChem CID:	134983239
Reduced:	OC5H6 (4)
Stoich.:	AB5C6 (4)
Weight, g/mol:	244.14633
ΔH_f, kcal/mol:	-153.13
Dipole, Da:	1.85
IP(EA), eV:	-8.78(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butyl-5,6,8,9-tetrahydro-1H-cyclopenta[h]isochromen-3-one

Drug info:

PubChemData

Smile

CCOC(=O)C1(CC(=C/C(=C\C2=CC=CC=C2)/C1)C)C(=O)OCC

DOS

IR

Vibrations