Geometry & MOs

Info

ID:	25237
PubChem CID:	621153
Reduced:	OCl2N2H12C14 (1)
Stoich.:	AB2C2D12E14 (1)
Weight, g/mol:	198.104465
ΔH_f, kcal/mol:	4.9
Dipole, Da:	4.07
IP(EA), eV:	-9.71(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	-4

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C(=CC2=C(C=C(C=C2)Cl)Cl)C#N

DOS

IR

Vibrations