Geometry & MOs

Info

ID:	31479
PubChem CID:	855769
Reduced:	OSN4C16H22 (1)
Stoich.:	ABC4D16E22 (1)
Weight, g/mol:	266.08777
ΔH_f, kcal/mol:	-4.34
Dipole, Da:	7.87
IP(EA), eV:	-8.42(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-(pyridin-3-ylmethylsulfanyl)quinoline

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C)C(C)C

DOS

IR

Vibrations