Geometry & MOs

Info

ID:	243508
PubChem CID:	99225460
Reduced:	ON2H8C9 (3)
Stoich.:	AB2C8D9 (3)
Weight, g/mol:	448.168145
ΔH_f, kcal/mol:	30.02
Dipole, Da:	1.19
IP(EA), eV:	-9.18(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(6-methylpyridin-2-yl)amino]-3-oxopropyl]-1-propan-2-yl-6-thiophen-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)NC(=O)CCNC(=O)C2=CC(=NC3=C2C=NN3CC4=CC=CO4)C5=CC=CC=C5

DOS

IR

Vibrations