Geometry & MOs

Info

ID:	297812
PubChem CID:	117632694
Reduced:	ClN4O4H19C24 (1)
Stoich.:	AB4C4D19E24 (1)
Weight, g/mol:	314.174276
ΔH_f, kcal/mol:	-71.68
Dipole, Da:	2.07
IP(EA), eV:	-8.69(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 5-(5-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)-3,4-dihydro-2H-pyridine-1-carboxylate

Drug info:

PubChemData

Smile

CC(=O)C(=O)NC1=CC=CC(=C1)C2=CNC3=C2C=C(C=N3)NC(=O)OC(C4=CC=CC=C4)Cl

DOS

IR

Vibrations