Geometry & MOs

Info

ID:	442079
PubChem CID:	135249374
Reduced:	ON4H18C22 (1)
Stoich.:	AB4C18D22 (1)
Weight, g/mol:	334.154209
ΔH_f, kcal/mol:	58.4
Dipole, Da:	7.64
IP(EA), eV:	-8.75(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(=CCC1C#N)C2=C3C=CNC3=NC=C2C4=CC5=C(CC(=O)N5)C=C4

DOS

IR

Vibrations