Geometry & MOs

Info

ID:	54123
PubChem CID:	14720315
Reduced:	SN2O2C13H20 (1)
Stoich.:	AB2C2D13E20 (1)
Weight, g/mol:	230.08777
ΔH_f, kcal/mol:	-69.33
Dipole, Da:	5.97
IP(EA), eV:	-9.5(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylsulfanyl-N-(pyridin-3-ylmethyl)aniline

Drug info:

PubChemData

Smile

CS(=O)(=O)N(CC1=CN=CC=C1)C2CCCCC2

DOS

IR

Vibrations