Geometry & MOs

Info

ID:	201276
PubChem CID:	79518249
Reduced:	SN2O2C13H16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	280.043712
ΔH_f, kcal/mol:	-43.77
Dipole, Da:	4.96
IP(EA), eV:	-8.9(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6-chloropyridin-3-yl)methylsulfanyl]-4-methoxyaniline

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C=C1)N=C(S2)C3COCC3N

DOS

IR

Vibrations