Geometry & MOs

Info

ID:	320244
PubChem CID:	126658955
Reduced:	FON5H16C17 (1)
Stoich.:	ABC5D16E17 (1)
Weight, g/mol:	364.169939
ΔH_f, kcal/mol:	23.65
Dipole, Da:	8.38
IP(EA), eV:	-9.08(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[4-[6-(dimethylamino)pyridin-3-yl]-2-fluorophenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-5-ol

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=CC(=C(N=C2)CN3CC4=C(C3O)N=CC=C4)F

DOS

IR

Vibrations