Geometry & MOs

Info

ID:	365151
PubChem CID:	127316955
Reduced:	N5C15H21 (1)
Stoich.:	A5B15C21 (1)
Weight, g/mol:	288.169859
ΔH_f, kcal/mol:	77.91
Dipole, Da:	0.51
IP(EA), eV:	-8.63(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-cyclobutylpiperazin-1-yl)-1-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(N=NC(=C1C#N)N2CCN(CC2)C3CCC3)C

DOS

IR

Vibrations