Geometry & MOs

Info

ID:	264884
PubChem CID:	103500821
Reduced:	ClFN3H9C12 (1)
Stoich.:	ABC3D9E12 (1)
Weight, g/mol:	291.093853
ΔH_f, kcal/mol:	29.01
Dipole, Da:	7.33
IP(EA), eV:	-8.62(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-6-fluoro-2,3-dihydroindole

Drug info:

PubChemData

Smile

C1CN(C2=C1C=CC(=C2)F)C3=NN=C(C=C3)Cl

DOS

IR

Vibrations