Geometry & MOs

Info

ID:	274705
PubChem CID:	103811171
Reduced:	ClN2O2H11C15 (1)
Stoich.:	AB2C2D11E15 (1)
Weight, g/mol:	290.028062
ΔH_f, kcal/mol:	-10.65
Dipole, Da:	8.63
IP(EA), eV:	-9.17(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloro-4-cyanophenyl)-5-ethylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(=O)NC2=C(C=C(C=C2)C#N)Cl

DOS

IR

Vibrations