Geometry & MOs

Info

ID:	130415
PubChem CID:	51075877
Reduced:	SN3O4C15H15 (1)
Stoich.:	AB3C4D15E15 (1)
Weight, g/mol:	343.139528
ΔH_f, kcal/mol:	-21.71
Dipole, Da:	3.6
IP(EA), eV:	-9.14(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-acetylphenoxy)-N-[2-(trifluoromethyl)cyclohexyl]acetamide

Drug info:

PubChemData

Smile

CC(C(=O)N1CCC2=C(C1)C=CS2)OC3=C(N=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations