Geometry & MOs

Info

ID:	352960
PubChem CID:	127284051
Reduced:	OSN2C13H18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	353.160023
ΔH_f, kcal/mol:	-20.98
Dipole, Da:	4.28
IP(EA), eV:	-9.0(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carbonyl]pyridin-2-one

Drug info:

PubChemData

Smile

CN1CCC(C1)C(=O)N2CCC3=C(C2)C=CS3

DOS

IR

Vibrations