Geometry & MOs

Info

ID:	375110
PubChem CID:	131472492
Reduced:	SO3C10H10 (1)
Stoich.:	AB3C10D10 (1)
Weight, g/mol:	179.058243
ΔH_f, kcal/mol:	-111.52
Dipole, Da:	1.43
IP(EA), eV:	-8.44(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-3-(2-hydroxyphenoxy)propanenitrile

Drug info:

PubChemData

Smile

COC(=O)C1CC2=C(S1)C=CC(=C2)O

DOS

IR

Vibrations