Geometry & MOs

Info

ID:	197116
PubChem CID:	78924380
Reduced:	ClNOSH14C15 (1)
Stoich.:	ABCDE14F15 (1)
Weight, g/mol:	310.16166
ΔH_f, kcal/mol:	3.3
Dipole, Da:	6.53
IP(EA), eV:	-8.59(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-2-[4-[2-(2,2,2-trifluoroethylamino)acetyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCOC2=C(C=CC(=C2)Cl)C(=S)N

DOS

IR

Vibrations