Geometry & MOs

Info

ID:	76447
PubChem CID:	48424936
Reduced:	SN2O2F3C16H29 (1)
Stoich.:	AB2C2D3E16F29 (1)
Weight, g/mol:	409.197712
ΔH_f, kcal/mol:	-274.62
Dipole, Da:	7.81
IP(EA), eV:	-8.71(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-prop-2-enylindol-3-yl)-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)CCSCC(=O)N1CCN(CC1)CCCOCC(F)(F)F

DOS

IR

Vibrations