Geometry & MOs

Info

ID:	360410
PubChem CID:	127301055
Reduced:	O2N4C21H28 (1)
Stoich.:	A2B4C21D28 (1)
Weight, g/mol:	396.227374
ΔH_f, kcal/mol:	-59.26
Dipole, Da:	8.67
IP(EA), eV:	-8.87(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CN(N=C1)C2CCCN(C2)C(=O)C3=C(C4=C(N3)CC(CC4=O)(C)C)C

DOS

IR

Vibrations