Geometry & MOs

Info

ID:	323066
PubChem CID:	126672044
Reduced:	SN2O2H10C11 (1)
Stoich.:	AB2C2D10E11 (1)
Weight, g/mol:	471.181901
ΔH_f, kcal/mol:	-6.25
Dipole, Da:	2.45
IP(EA), eV:	-9.7(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-2-[6-methyl-5-oxo-4-[3-(1-oxo-2,7-diazaspiro[4.4]nonan-7-yl)pyrazol-1-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]benzonitrile

Drug info:

PubChemData

Smile

CC1=NN=C(S1)C(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations