Geometry & MOs

Info

ID:	79485
PubChem CID:	49760106
Reduced:	N3C12H13 (1)
Stoich.:	A3B12C13 (1)
Weight, g/mol:	317.173942
ΔH_f, kcal/mol:	57.28
Dipole, Da:	1.0
IP(EA), eV:	-8.79(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-hydroxy-4-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1CNCC=C1C2=CC3=C(N2)N=CC=C3

DOS

IR

Vibrations