Geometry & MOs

Info

ID:	154383
PubChem CID:	56313806
Reduced:	FON3C20H20 (1)
Stoich.:	ABC3D20E20 (1)
Weight, g/mol:	451.200825
ΔH_f, kcal/mol:	-4.76
Dipole, Da:	5.88
IP(EA), eV:	-9.33(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(furan-2-ylmethyl)-N-(3-phenylbutyl)-6-pyridin-3-ylpyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC(CCNC(=O)C1=NN(C=C1)C2=CC=CC=C2F)C3=CC=CC=C3

DOS

IR

Vibrations