Geometry & MOs

Info

ID:	198732
PubChem CID:	79142216
Reduced:	SN2H14C15 (1)
Stoich.:	AB2C14D15 (1)
Weight, g/mol:	289.11365
ΔH_f, kcal/mol:	64.79
Dipole, Da:	5.61
IP(EA), eV:	-8.56(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2-methoxyphenoxy)ethylsulfanyl]-4-methylaniline

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N)SCC2=CC(=CC=C2)C#N

DOS

IR

Vibrations