Geometry & MOs

Info

ID:	221050
PubChem CID:	85256625
Reduced:	ClPO4C10H16 (1)
Stoich.:	ABC4D10E16 (1)
Weight, g/mol:	266.034586
ΔH_f, kcal/mol:	-179.78
Dipole, Da:	5.54
IP(EA), eV:	-10.15(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-3a-methyl-2-oxo-4,8b-dihydro-1H-indeno[2,1-b]furan-1-carboxylic acid

Drug info:

PubChemData

Smile

CCOP(=O)(C#CCOC)OCC=CCCl

DOS

IR

Vibrations