Geometry & MOs

Info

ID:

173915

PubChem CID:

75697220

Reduced:

NO2C12H24 (1)

Stoich.:

AB2C12D24 (1)

Weight, g/mol:

274.065023

ΔHf, kcal/mol:

-101.18

Dipole, Da:

2.63

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.754708

Charge, e:

 -1

Chem-info

IUPAC name:

6-(2-thiophen-3-ylpyrrolidine-1-carbonyl)pyridazin-3-olate

Drug info:

PubChemData

Smile

CCC(C)(C(=O)OC)[NH+]1CCCC(C1)C

DOS

IR

Vibrations