Geometry & MOs

Info

ID:	319163
PubChem CID:	126655234
Reduced:	F2O3N5H17C21 (1)
Stoich.:	A2B3C5D17E21 (1)
Weight, g/mol:	475.193215
ΔH_f, kcal/mol:	-99.4
Dipole, Da:	6.17
IP(EA), eV:	-9.39(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-difluoro-4-[4-[3-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile

Drug info:

PubChemData

Smile

C1COCCN1C(=O)C2=NN(C=C2)C3=CC(=NC4=C3C(=O)NC4)C5=C(C=CC=C5F)F

DOS

IR

Vibrations