Geometry & MOs

Info

ID:	28401
PubChem CID:	827374
Reduced:	NOSC16H19 (1)
Stoich.:	ABCD16E19 (1)
Weight, g/mol:	261.08235
ΔH_f, kcal/mol:	9.48
Dipole, Da:	3.21
IP(EA), eV:	-8.41(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(methylaminomethyl)phenyl]sulfanylbenzene-1,2-diol

Drug info:

PubChemData

Smile

CN(C)CC1=CC=CC=C1SC2=CC=CC=C2OC

DOS

IR

Vibrations