Geometry & MOs

Info

ID:	128265
PubChem CID:	51036951
Reduced:	ON7H21C25 (1)
Stoich.:	AB7C21D25 (1)
Weight, g/mol:	381.15896
ΔH_f, kcal/mol:	122.43
Dipole, Da:	3.41
IP(EA), eV:	-8.58(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-(3-methylphenyl)-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridin-2-yl]imidazol-2-one

Drug info:

PubChemData

Smile

CC(C)(C#N)C1=CC=C(C=C1)N2C(=CN(C2=O)C)C3=NC=CC(=C3)C4=CN=C5C(=N4)C=CN5

DOS

IR

Vibrations