Geometry & MOs

Info

ID:	407933
PubChem CID:	135080688
Reduced:	ClOF2H7C9 (1)
Stoich.:	ABC2D7E9 (1)
Weight, g/mol:	238.047738
ΔH_f, kcal/mol:	-102.66
Dipole, Da:	2.83
IP(EA), eV:	-9.44(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (1S,5S)-4-oxo-8-oxabicyclo[3.2.1]octa-2,6-diene-6,7-dicarboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OC(=C(F)Cl)F

DOS

IR

Vibrations