Geometry & MOs

Info

ID:	15164
PubChem CID:	431616
Reduced:	ClO2H11C15 (1)
Stoich.:	AB2C11D15 (1)
Weight, g/mol:	258.044757
ΔH_f, kcal/mol:	107.49
Dipole, Da:	4.64
IP(EA), eV:	-8.93(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-chlorospiro[3aH-cyclohepta[b]furan-3,7'-bicyclo[4.1.0]hepta-2,4-diene]-2-one

Drug info:

PubChemData

Smile

C1=CC2C(C23C4C=CC=CC(=C4OC3=O)Cl)C=C1

DOS

IR

Vibrations