Geometry & MOs

Info

ID:	51944
PubChem CID:	12014714
Reduced:	NO3C20H35 (1)
Stoich.:	AB3C20D35 (1)
Weight, g/mol:	267.071785
ΔH_f, kcal/mol:	-191.85
Dipole, Da:	5.33
IP(EA), eV:	-9.46(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methylsulfanyl-4-phenoxyquinoline

Drug info:

PubChemData

Smile

C[C@H]1CC[C@H]([C@@H](C1)O[C@H]2[C@@H](CC(=O)O2)NC3CCCCC3)C(C)C

DOS

IR

Vibrations