Geometry & MOs

Info

ID:	259272
PubChem CID:	103162371
Reduced:	N2O3C12H16 (1)
Stoich.:	A2B3C12D16 (1)
Weight, g/mol:	214.110613
ΔH_f, kcal/mol:	-117.93
Dipole, Da:	2.69
IP(EA), eV:	-10.14(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclobutyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone

Drug info:

PubChemData

Smile

CN1C=C(C(=O)N(C1=O)C)C(=O)CC2CCC2

DOS

IR

Vibrations