Geometry & MOs

Info

ID:	259287
PubChem CID:	103162435
Reduced:	OSCl2C10H10 (1)
Stoich.:	ABC2D10E10 (1)
Weight, g/mol:	248.071641
ΔH_f, kcal/mol:	-13.63
Dipole, Da:	2.55
IP(EA), eV:	-9.56(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-cyclobutylethanone

Drug info:

PubChemData

Smile

C1CC(C1)CC(=O)C2=C(SC(=C2)Cl)Cl

DOS

IR

Vibrations