Geometry & MOs

Info

ID:	145644
PubChem CID:	53563618
Reduced:	SN4O6C22H24 (1)
Stoich.:	AB4C6D22E24 (1)
Weight, g/mol:	344.134777
ΔH_f, kcal/mol:	-189.18
Dipole, Da:	6.34
IP(EA), eV:	-8.91(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-acetylpiperazin-1-yl)-2-[2-(trifluoromethyl)phenoxy]propan-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)NCCCN3C(=O)C(=O)N(C3=O)C

DOS

IR

Vibrations