Geometry & MOs

Info

ID:	328122
PubChem CID:	126692142
Reduced:	N2F3O3C16H17 (2)
Stoich.:	A2B3C3D16E17 (2)
Weight, g/mol:	272.163711
ΔH_f, kcal/mol:	-489.02
Dipole, Da:	7.47
IP(EA), eV:	-8.64(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-cyclobutyl-4-methylidene-1-(oxan-4-yl)-2H-pyrazolo[3,4-d]pyrimidine

Drug info:

PubChemData

Smile

C[C@H]1[C@H](OC(N1CC2=NC(=NC=C2C3=C(C=CC(=C3)CCC(=O)OC)OC)N4CC(C4)OC)O)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations