Geometry & MOs

Info

ID:	397490
PubChem CID:	135030293
Reduced:	NSO3H15C20 (1)
Stoich.:	ABC3D15E20 (1)
Weight, g/mol:	277.146664
ΔH_f, kcal/mol:	-10.97
Dipole, Da:	6.78
IP(EA), eV:	-9.28(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2-(2,4,6-trimethylphenoxy)quinoline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)C(=O)N=S(=O)(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations