Geometry & MOs

Info

ID:	11424
PubChem CID:	115347
Reduced:	NOSC8H11 (1)
Stoich.:	ABCD8E11 (1)
Weight, g/mol:	169.056135
ΔH_f, kcal/mol:	-21.45
Dipole, Da:	2.51
IP(EA), eV:	-8.59(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-aminoethylsulfanyl)phenol

Drug info:

PubChemData

Smile

C1=CC(=CC=C1O)SCCN

DOS

IR

Vibrations