Geometry & MOs

Info

ID:	157701
PubChem CID:	56436633
Reduced:	O3N4C23H26 (1)
Stoich.:	A3B4C23D26 (1)
Weight, g/mol:	443.170588
ΔH_f, kcal/mol:	-44.52
Dipole, Da:	5.16
IP(EA), eV:	-8.85(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(furan-2-ylmethyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-6-pyridin-3-ylpyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CCCNC(=O)C2CCCN(C2)C(=O)C3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations