Geometry & MOs

Info

ID:	180467
PubChem CID:	76637732
Reduced:	ClON4H11C14 (1)
Stoich.:	ABC4D11E14 (1)
Weight, g/mol:	300.077789
ΔH_f, kcal/mol:	64.27
Dipole, Da:	5.0
IP(EA), eV:	-8.77(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methylidene]-2-cyclopropyl-3-methylimidazol-4-one

Drug info:

PubChemData

Smile

C1CC1C2=NC(=O)C(=CC3=CNC4=C3C=C(C=N4)Cl)N2

DOS

IR

Vibrations