Geometry & MOs

Info

ID:	396459
PubChem CID:	135028453
Reduced:	FC5H5 (2)
Stoich.:	AB5C5 (2)
Weight, g/mol:	306.146724
ΔH_f, kcal/mol:	-66.5
Dipole, Da:	2.28
IP(EA), eV:	-9.63(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (1R,3aS,4S,7aS)-1,4,7a-trimethyl-3-methylidene-5-oxo-2,3a-dihydroindene-1,4-dicarboxylate

Drug info:

PubChemData

Smile

C[C@]1(CC1(F)F)C2=CC=CC=C2

DOS

IR

Vibrations