Geometry & MOs

Info

ID:	269030
PubChem CID:	103606570
Reduced:	Cl2N2O4H6C11 (1)
Stoich.:	A2B2C4D6E11 (1)
Weight, g/mol:	235.077933
ΔH_f, kcal/mol:	-39.07
Dipole, Da:	3.42
IP(EA), eV:	-9.56(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyanocyclohexyl)-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)[N+](=O)[O-])NC(=O)C2=CC=C(O2)Cl

DOS

IR

Vibrations