Geometry & MOs

Info

ID:	76493
PubChem CID:	48424998
Reduced:	F3N3O4C16H26 (1)
Stoich.:	A3B3C4D16E26 (1)
Weight, g/mol:	404.174534
ΔH_f, kcal/mol:	-341.21
Dipole, Da:	4.0
IP(EA), eV:	-8.97(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-propan-2-ylsulfanylphenyl)-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCN1CCCOCC(F)(F)F)C(=O)CCCN2CCOC2=O

DOS

IR

Vibrations