Geometry & MOs

Info

ID:	406780
PubChem CID:	135078600
Reduced:	N2O3C12H15 (1)
Stoich.:	A2B3C12D15 (1)
Weight, g/mol:	140.094963
ΔH_f, kcal/mol:	-59.02
Dipole, Da:	3.92
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.182332
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-(2-methylpropylidene)-3,4-dihydropyrazol-2-ium-5-olate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=[N+]\2/CCC(=O)N2)OC

DOS

IR

Vibrations