Geometry & MOs

Info

ID:	155820
PubChem CID:	56367674
Reduced:	ON2C11H14 (2)
Stoich.:	AB2C11D14 (2)
Weight, g/mol:	448.168145
ΔH_f, kcal/mol:	-40.45
Dipole, Da:	1.9
IP(EA), eV:	-9.13(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2,5-dimethylthiophen-3-yl)-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCCC(=O)NC1CCCN(C1)C(=O)C2=NN(C3=C2CCC3)C4=CC=CC=C4

DOS

IR

Vibrations