Geometry & MOs

Info

ID:	143853
PubChem CID:	53269661
Reduced:	ClON2H11C15 (1)
Stoich.:	ABC2D11E15 (1)
Weight, g/mol:	222.055991
ΔH_f, kcal/mol:	31.95
Dipole, Da:	4.08
IP(EA), eV:	-9.5(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)butan-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C(=O)C2=CNC3=C2C=CC=N3)Cl

DOS

IR

Vibrations