Geometry & MOs

Info

ID:	308758
PubChem CID:	126522454
Reduced:	ON6H12C18 (1)
Stoich.:	AB6C12D18 (1)
Weight, g/mol:	295.132077
ΔH_f, kcal/mol:	153.3
Dipole, Da:	8.12
IP(EA), eV:	-8.8(-2.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-pyridin-2-ylpyrrolo[2,3-b]pyridine-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC2=C/C(=C\3/C4=CC(=NC=C4NN3)C5=CC(=CN=C5)O)/N=C2N=C1

DOS

IR

Vibrations