Geometry & MOs

Info

ID:	134894
PubChem CID:	51777248
Reduced:	O5C12H16 (1)
Stoich.:	A5B12C16 (1)
Weight, g/mol:	273.067329
ΔH_f, kcal/mol:	-202.79
Dipole, Da:	3.75
IP(EA), eV:	-9.78(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[6-(trifluoromethyl)quinolin-4-yl]sulfanylethylazanium

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC[C@H]2[C@@H]([C@H]([C@H](O2)O)O)O

DOS

IR

Vibrations