Geometry & MOs

Info

ID:	328109
PubChem CID:	126692091
Reduced:	F2N3O5C31H31 (1)
Stoich.:	A2B3C5D31E31 (1)
Weight, g/mol:	389.166331
ΔH_f, kcal/mol:	-229.78
Dipole, Da:	7.65
IP(EA), eV:	-8.49(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4,4-difluorocyclohexyl)-6-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)cyclobutyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C[C@H]1C(OC(=O)N1CC2=C(C=CC(=N2)N3CCC3)C4=C(C=C5CC[C@H](C5=C4)CC(=O)O)OC)C6=CC(=CC(=C6)F)F

DOS

IR

Vibrations