Geometry & MOs

Info

ID:	357653
PubChem CID:	127294327
Reduced:	OSN4C16H18 (1)
Stoich.:	ABC4D16E18 (1)
Weight, g/mol:	345.227709
ΔH_f, kcal/mol:	52.11
Dipole, Da:	6.0
IP(EA), eV:	-8.45(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CCNC2=C3C4=C(CCC4)SC3=NC=N2

DOS

IR

Vibrations