Geometry & MOs

Info

ID:	201286
PubChem CID:	79518690
Reduced:	NSO3C13H21 (1)
Stoich.:	ABC3D13E21 (1)
Weight, g/mol:	237.04352
ΔH_f, kcal/mol:	-109.18
Dipole, Da:	2.61
IP(EA), eV:	-8.12(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-2-(2,2,2-trifluoroethylsulfanyl)aniline

Drug info:

PubChemData

Smile

CCOC1=CC(=C(C=C1)N)SCCOCCOC

DOS

IR

Vibrations