Geometry & MOs

Info

ID:	371390
PubChem CID:	127346126
Reduced:	ON4C20H20 (1)
Stoich.:	AB4C20D20 (1)
Weight, g/mol:	335.138225
ΔH_f, kcal/mol:	51.41
Dipole, Da:	6.11
IP(EA), eV:	-9.1(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl)-2-oxoethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C(C(=NN12)C)C(=O)N3C4CCC3C5=CC=CC=C45)C

DOS

IR

Vibrations