Geometry & MOs

Info

ID:	404126
PubChem CID:	135065096
Reduced:	NOH11C12 (2)
Stoich.:	ABC11D12 (2)
Weight, g/mol:	258.173213
ΔH_f, kcal/mol:	31.79
Dipole, Da:	3.6
IP(EA), eV:	-8.33(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-butyl-1-oxido-3-phenyl-2-propylpyrazol-1-ium

Drug info:

PubChemData

Smile

CN1C(=C(C(=N1)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC)C4=CC=CC=C4

DOS

IR

Vibrations