Geometry & MOs

Info

ID:	354156
PubChem CID:	127286087
Reduced:	O3N6C20H26 (1)
Stoich.:	A3B6C20D26 (1)
Weight, g/mol:	384.190989
ΔH_f, kcal/mol:	-70.25
Dipole, Da:	5.12
IP(EA), eV:	-8.9(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-[(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)methyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione

Drug info:

PubChemData

Smile

CC(C)N1C2=C(C=C(C=N2)CN3CCN(CC3)C(=O)CN4C(=O)CCC4=O)C=N1

DOS

IR

Vibrations