Geometry & MOs

Info

ID:	406778
PubChem CID:	135078597
Reduced:	NO2H15C16 (1)
Stoich.:	AB2C15D16 (1)
Weight, g/mol:	234.100442
ΔH_f, kcal/mol:	26.75
Dipole, Da:	2.26
IP(EA), eV:	-8.99(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C/C=C/OC2=CC=CC=C2C=NO

DOS

IR

Vibrations