Geometry & MOs

Info

ID:	225333
PubChem CID:	85756485
Reduced:	N3O3H17C22 (1)
Stoich.:	A3B3C17D22 (1)
Weight, g/mol:	181.037508
ΔH_f, kcal/mol:	-2.56
Dipole, Da:	6.6
IP(EA), eV:	-8.72(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hydroxy-3-[(hydroxyamino)methylidene]-4-oxocyclohexa-1,5-diene-1-carbaldehyde

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)C4=CN=CO4

DOS

IR

Vibrations