Geometry & MOs

Info

ID:	298918
PubChem CID:	117664341
Reduced:	FON5H20C24 (1)
Stoich.:	ABC5D20E24 (1)
Weight, g/mol:	413.165188
ΔH_f, kcal/mol:	42.91
Dipole, Da:	8.65
IP(EA), eV:	-8.96(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-4-[3-(6-piperidin-3-yloxypyrazin-2-yl)-1H-indol-5-yl]benzonitrile

Drug info:

PubChemData

Smile

C1C[C@H](CNC1)OC2=NC(=CN=C2)C3=CNC4=C3C=C(C=C4)C5=CC(=C(C=C5)C#N)F

DOS

IR

Vibrations