Geometry & MOs

Info

ID:	76663
PubChem CID:	48425210
Reduced:	SN2O2F3C20H23 (1)
Stoich.:	AB2C2D3E20F23 (1)
Weight, g/mol:	401.192626
ΔH_f, kcal/mol:	-195.27
Dipole, Da:	6.35
IP(EA), eV:	-8.96(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-1-carbonyl]phenyl]methyl]acetamide

Drug info:

PubChemData

Smile

C1CN(CCN1CCCOCC(F)(F)F)C(=O)C2=CC(=CS2)C3=CC=CC=C3

DOS

IR

Vibrations