Geometry & MOs

Info

ID:	184911
PubChem CID:	77228339
Reduced:	ON6C23H26 (1)
Stoich.:	AB6C23D26 (1)
Weight, g/mol:	307.991946
ΔH_f, kcal/mol:	59.37
Dipole, Da:	6.6
IP(EA), eV:	-8.74(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-3-[(3-chloro-2-fluorophenyl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one

Drug info:

PubChemData

Smile

CC(C)(CNC1=CC=CC(=N1)C2=CC=CC(=C2)C#N)NCC(=O)N3CCCC3C#N

DOS

IR

Vibrations