Geometry & MOs

Info

ID:	268945
PubChem CID:	103602880
Reduced:	Cl2N3O3H11C13 (1)
Stoich.:	A2B3C3D11E13 (1)
Weight, g/mol:	287.036462
ΔH_f, kcal/mol:	-10.4
Dipole, Da:	4.36
IP(EA), eV:	-10.42(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[cyano(phenyl)methyl]-5-nitrothiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)(C#N)NC(=O)C2=CC(=C(C(=C2)Cl)Cl)[N+](=O)[O-]

DOS

IR

Vibrations