Geometry & MOs

Info

ID:	76630
PubChem CID:	48425169
Reduced:	F3N3O3C20H24 (1)
Stoich.:	A3B3C3D20E24 (1)
Weight, g/mol:	390.158884
ΔH_f, kcal/mol:	-235.52
Dipole, Da:	2.08
IP(EA), eV:	-8.64(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC=CC=C2)C(=O)N3CCN(CC3)CCCOCC(F)(F)F

DOS

IR

Vibrations