Geometry & MOs

Info

ID:	76455
PubChem CID:	48424948
Reduced:	SO2F3N3C17H24 (1)
Stoich.:	AB2C3D3E17F24 (1)
Weight, g/mol:	384.202463
ΔH_f, kcal/mol:	-218.22
Dipole, Da:	1.97
IP(EA), eV:	-8.87(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3-methylphenyl)cyclopropyl]-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CCSC1=NC=CC(=C1)C(=O)N2CCN(CC2)CCCOCC(F)(F)F

DOS

IR

Vibrations