Geometry & MOs

Info

ID:	437280
PubChem CID:	135221333
Reduced:	ISF3N5H11C14 (1)
Stoich.:	ABC3D5E11F14 (1)
Weight, g/mol:	263.101839
ΔH_f, kcal/mol:	-25.25
Dipole, Da:	15.2
IP(EA), eV:	-7.69(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-(1-methyl-5-nitropyrazolo[3,4-b]pyridin-6-yl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CSC1=CC=CC=[N+]1C2=CN=C(C=C2)N3C=NC(=N3)C(F)(F)F.[I-]

DOS

IR

Vibrations