Geometry & MOs

Info

ID:	157629
PubChem CID:	56436180
Reduced:	O3N5H21C22 (1)
Stoich.:	A3B5C21D22 (1)
Weight, g/mol:	470.186652
ΔH_f, kcal/mol:	-12.5
Dipole, Da:	2.79
IP(EA), eV:	-9.27(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-fluorophenyl)methyl]-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-6-phenylpyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CCCNC(=O)C2=CC=C(C=C2)N3C(=NC4=CC=CC=C4C3=O)C

DOS

IR

Vibrations