Geometry & MOs

Info

ID:	19428
PubChem CID:	563490
Reduced:	O2C15H16 (1)
Stoich.:	A2B15C16 (1)
Weight, g/mol:	228.11503
ΔH_f, kcal/mol:	-63.49
Dipole, Da:	5.07
IP(EA), eV:	-9.46(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-benzylidene-6-methyl-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one

Drug info:

PubChemData

Smile

CC1C2COC(=O)C2CC1=CC3=CC=CC=C3

DOS

IR

Vibrations