Geometry & MOs

Info

ID:	180466
PubChem CID:	76637731
Reduced:	ON4C16H18 (1)
Stoich.:	AB4C16D18 (1)
Weight, g/mol:	286.062139
ΔH_f, kcal/mol:	26.64
Dipole, Da:	3.05
IP(EA), eV:	-8.52(-1.01)
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-1H-imidazol-4-one

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=CC2=CNC3=C2C=CC=N3)C(=O)N1C

DOS

IR

Vibrations