Geometry & MOs

Info

ID:	23593
PubChem CID:	604761
Reduced:	NOSH15C17 (1)
Stoich.:	ABCD15E17 (1)
Weight, g/mol:	281.087435
ΔH_f, kcal/mol:	36.98
Dipole, Da:	4.36
IP(EA), eV:	-8.7(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(2-phenoxyethylsulfanyl)quinoline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCCSC2=CC=CC3=C2N=CC=C3

DOS

IR

Vibrations