Geometry & MOs

Info

ID:	150707
PubChem CID:	53790402
Reduced:	NOF3C14H14 (1)
Stoich.:	ABC3D14E14 (1)
Weight, g/mol:	280.081205
ΔH_f, kcal/mol:	-168.86
Dipole, Da:	5.27
IP(EA), eV:	-9.91(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-fluoro-5-(2-fluorophenyl)-1H-indeno[1,2-d]pyrimidine

Drug info:

PubChemData

Smile

C1CCC(CC1)(C#N)C2=CC=CC=C2OC(F)(F)F

DOS

IR

Vibrations