Geometry & MOs

Info

ID:	355884
PubChem CID:	127290736
Reduced:	O2N5C22H31 (1)
Stoich.:	A2B5C22D31 (1)
Weight, g/mol:	397.222623
ΔH_f, kcal/mol:	-36.49
Dipole, Da:	6.5
IP(EA), eV:	-8.97(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCN(CC2)C(=O)C(C3=CC=CC=C3)N4CCC(CC4)O

DOS

IR

Vibrations