Geometry & MOs

Info

ID:	79762
PubChem CID:	49830281
Reduced:	N6C17H20 (1)
Stoich.:	A6B17C20 (1)
Weight, g/mol:	362.174276
ΔH_f, kcal/mol:	74.7
Dipole, Da:	2.19
IP(EA), eV:	-8.84(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-1-phenylethyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C(C1)N)NC2=NC=CC(=N2)C3=CNC4=C3C=CC=N4

DOS

IR

Vibrations