Geometry & MOs

Info

ID:	323089
PubChem CID:	126672241
Reduced:	NOC15H31 (1)
Stoich.:	ABC15D31 (1)
Weight, g/mol:	388.144787
ΔH_f, kcal/mol:	-105.9
Dipole, Da:	1.86
IP(EA), eV:	-8.51(2.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-2-[5-oxo-4-(3-pyrrolidin-1-ylpyrazol-1-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile

Drug info:

PubChemData

Smile

CCCCCCCC(C)N1CCC[C@](C1)(C)O

DOS

IR

Vibrations