Geometry & MOs

Info

ID:	409695
PubChem CID:	135082478
Reduced:	ClLiO2C10H10 (1)
Stoich.:	ABC2D10E10 (1)
Weight, g/mol:	319.000467
ΔH_f, kcal/mol:	-68.65
Dipole, Da:	7.9
IP(EA), eV:	-8.41(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-[2-(2-chlorophenyl)-1,3-dithiolan-4-ylidene]-2-imidazol-1-ylacetonitrile

Drug info:

PubChemData

Smile

[Li+].CC1(OCCO1)C2=[C-]C=C(C=C2)Cl

DOS

IR

Vibrations