Geometry & MOs

Info

ID:	355898
PubChem CID:	127290750
Reduced:	O2N5C16H21 (1)
Stoich.:	A2B5C16D21 (1)
Weight, g/mol:	397.222623
ΔH_f, kcal/mol:	-15.83
Dipole, Da:	5.87
IP(EA), eV:	-8.63(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4,6-trimethyl-5-[2-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-2-oxoethyl]-2H-pyrazolo[3,4-b]pyridin-3-one

Drug info:

PubChemData

Smile

CN1C=CC=C(C1=O)C(=O)N2CCN(CC2)CC3=CN(N=C3)C

DOS

IR

Vibrations