Geometry & MOs

Info

ID:	351660
PubChem CID:	127280727
Reduced:	ON5C22H27 (1)
Stoich.:	AB5C22D27 (1)
Weight, g/mol:	363.20591
ΔH_f, kcal/mol:	52.48
Dipole, Da:	6.48
IP(EA), eV:	-8.66(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)C2CCCN2CC3=NC(=O)C4=CNN(C4=N3)C5=CC=CC=C5

DOS

IR

Vibrations