Geometry & MOs

Info

ID:	407790
PubChem CID:	135080545
Reduced:	PN2O4C10H17 (1)
Stoich.:	AB2C4D10E17 (1)
Weight, g/mol:	230.116761
ΔH_f, kcal/mol:	-205.85
Dipole, Da:	2.38
IP(EA), eV:	-9.87(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-(1H-pyrrolo[2,3-b]pyridin-6-yl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCOP(=O)(C(C)(C1=NC=CN=C1)O)OCC

DOS

IR

Vibrations