Geometry & MOs

Info

ID:	397827
PubChem CID:	135030801
Reduced:	ClOC8H13 (1)
Stoich.:	ABC8D13 (1)
Weight, g/mol:	398.172939
ΔH_f, kcal/mol:	-71.88
Dipole, Da:	3.0
IP(EA), eV:	-9.78(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5,6,7-tetramethoxy-1,8,8,9-tetramethyl-9H-phenaleno[1,2-b]furan-3-one

Drug info:

PubChemData

Smile

CC1=CC(CCC1)(CCl)O

DOS

IR

Vibrations