Geometry & MOs

Info

ID:	151205
PubChem CID:	53790905
Reduced:	OSN3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	230.080376
ΔH_f, kcal/mol:	45.29
Dipole, Da:	2.46
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.991113
Charge, e:	0

Chem-info

IUPAC name:

3-[amino-(hydroxyamino)methylidene]-5-pyridin-4-ylpyridin-2-one

Drug info:

PubChemData

Smile

CC=CCCCOC1=NSN=C1C2=C[N+](=CC=C2)C

DOS

IR

Vibrations