Geometry & MOs

Info

ID:	269827
PubChem CID:	103619278
Reduced:	NSF3O3C13H18 (1)
Stoich.:	ABC3D3E13F18 (1)
Weight, g/mol:	286.075154
ΔH_f, kcal/mol:	-252.39
Dipole, Da:	4.72
IP(EA), eV:	-8.79(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(quinolin-6-ylmethyl)-2-(trifluoromethylsulfanyl)ethanamine

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)CNCCSC(F)(F)F)OC)OC

DOS

IR

Vibrations