Geometry & MOs

Info

ID:	324447
PubChem CID:	126677687
Reduced:	N3C7H11 (1)
Stoich.:	A3B7C11 (1)
Weight, g/mol:	464.160831
ΔH_f, kcal/mol:	55.5
Dipole, Da:	3.79
IP(EA), eV:	-8.8(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-2-[4-[3-[(8S)-8-hydroxy-1,6,3-dioxazonan-3-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile

Drug info:

PubChemData

Smile

C=CCCNC1=CC=NN1

DOS

IR

Vibrations