Geometry & MOs

Info

ID:

132520

PubChem CID:

51374526

Reduced:

NOH12C13 (1)

Stoich.:

ABC12D13 (1)

Weight, g/mol:

300.117058

ΔHf, kcal/mol:

20.85

Dipole, Da:

1.86

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.159725

Charge, e:

 -1

Chem-info

IUPAC name:

(4Z)-1-ethyl-5-oxo-4-[(4-pyrrolidin-1-ylphenyl)methylidene]imidazole-2-thiolate

Drug info:

PubChemData

Smile

C1C[NH+]=C(C2=CC=CC=C21)C3=CC=CO3

DOS

IR

Vibrations