Geometry & MOs

Info

ID:	442586
PubChem CID:	135253179
Reduced:	O2N4H18C21 (1)
Stoich.:	A2B4C18D21 (1)
Weight, g/mol:	394.211724
ΔH_f, kcal/mol:	38.08
Dipole, Da:	3.47
IP(EA), eV:	-8.53(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-(4-methylphenyl)-4-oxo-1-(2-piperazin-1-ylethyl)-2H-pyrazolo[3,4-b]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)C2=NC=C3C(=C2OC)C=NN3C4=CC=CC=C4

DOS

IR

Vibrations