Geometry & MOs

Info

ID:	248396
PubChem CID:	103081320
Reduced:	SF2O3N4C9H10 (1)
Stoich.:	AB2C3D4E9F10 (1)
Weight, g/mol:	257.108816
ΔH_f, kcal/mol:	-90.1
Dipole, Da:	5.8
IP(EA), eV:	-9.05(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2,2-difluoroethoxy)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

C1=CSC2=NC(=C(N21)[N+](=O)[O-])NCCOCC(F)F

DOS

IR

Vibrations