Geometry & MOs

Info

ID:	31897
PubChem CID:	3722930
Reduced:	OCl3F3N3H9C13 (1)
Stoich.:	AB3C3D3E9F13 (1)
Weight, g/mol:	353.106336
ΔH_f, kcal/mol:	-106.09
Dipole, Da:	5.18
IP(EA), eV:	-9.59(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-ethoxyphenyl)-7-fluoro-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

Drug info:

PubChemData

Smile

CN1C(=C(C(=N1)C(F)(F)F)C=NOCC2=CC(=C(C=C2)Cl)Cl)Cl

DOS

IR

Vibrations