Geometry & MOs

Info

ID:	211802
PubChem CID:	81054243
Reduced:	ON4C15H24 (1)
Stoich.:	AB4C15D24 (1)
Weight, g/mol:	181.085127
ΔH_f, kcal/mol:	-10.99
Dipole, Da:	4.55
IP(EA), eV:	-8.75(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-[amino-(hydroxyamino)methylidene]-2,6-dimethylpyridin-4-one

Drug info:

PubChemData

Smile

CC1CCC(N(C1)C2=C(C(=NC(=C2)C)C)/C(=N/O)/N)C

DOS

IR

Vibrations