Geometry & MOs

Info

ID:	293823
PubChem CID:	117403586
Reduced:	ClNO3C12H18 (1)
Stoich.:	ABC3D12E18 (1)
Weight, g/mol:	259.043378
ΔH_f, kcal/mol:	-109.49
Dipole, Da:	4.93
IP(EA), eV:	-8.85(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-4-methoxy-5-methylsulfanylphenyl)-2-(methylamino)ethanone

Drug info:

PubChemData

Smile

CC(C)(C1=C(C=C(C(=C1OC)OC)OC)Cl)N

DOS

IR

Vibrations