Geometry & MOs

Info

ID:	160501
PubChem CID:	57309849
Reduced:	OF2H10C13 (1)
Stoich.:	AB2C10D13 (1)
Weight, g/mol:	289.025419
ΔH_f, kcal/mol:	-87.97
Dipole, Da:	2.63
IP(EA), eV:	-8.86(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-chloro-1-cyano-2-methyl-3-oxoisoindol-1-yl)-2-cyanoacetic acid

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=C(C=CC=C2F)F

DOS

IR

Vibrations