Geometry & MOs

Info

ID:	447683
PubChem CID:	135284762
Reduced:	FN5H6C12 (1)
Stoich.:	AB5C6D12 (1)
Weight, g/mol:	371.200905
ΔH_f, kcal/mol:	105.87
Dipole, Da:	3.16
IP(EA), eV:	-9.66(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-fluorophenyl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

C1=C(N2C(=CC=N2)N=C1)C3=CC(=C(N=C3)F)C#N

DOS

IR

Vibrations