Geometry & MOs

Info

ID:	245376
PubChem CID:	99444081
Reduced:	N2O3H18C24 (1)
Stoich.:	A2B3C18D24 (1)
Weight, g/mol:	409.19026
ΔH_f, kcal/mol:	13.72
Dipole, Da:	6.72
IP(EA), eV:	-8.75(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-cyanophenyl)methyl]-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)OCC3=CC=C(O3)C(=O)NCC4=CC(=CC=C4)C#N

DOS

IR

Vibrations