Geometry & MOs

Info

ID:	353632
PubChem CID:	127285209
Reduced:	OSN5C11H15 (1)
Stoich.:	ABC5D11E15 (1)
Weight, g/mol:	332.196074
ΔH_f, kcal/mol:	34.05
Dipole, Da:	5.78
IP(EA), eV:	-8.47(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C=NC2=C1N=CN=C2N3CCS(=O)CC3

DOS

IR

Vibrations