Geometry & MOs

Info

ID:	30482
PubChem CID:	841398
Reduced:	ClN3O3H12C14 (1)
Stoich.:	AB3C3D12E14 (1)
Weight, g/mol:	276.093249
ΔH_f, kcal/mol:	-11.54
Dipole, Da:	9.17
IP(EA), eV:	-8.92(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations