Geometry & MOs

Info

ID:	76452
PubChem CID:	48424944
Reduced:	SN2O2F3C16H23 (1)
Stoich.:	AB2C2D3E16F23 (1)
Weight, g/mol:	404.192292
ΔH_f, kcal/mol:	-234.06
Dipole, Da:	4.19
IP(EA), eV:	-8.89(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methoxyethoxy)phenyl]-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CCC1=C(SC=C1)C(=O)N2CCN(CC2)CCCOCC(F)(F)F

DOS

IR

Vibrations