Geometry & MOs

Info

ID:	49137
PubChem CID:	11528751
Reduced:	ClNSO3H6C8 (1)
Stoich.:	ABCD3E6F8 (1)
Weight, g/mol:	231.102607
ΔH_f, kcal/mol:	-70.02
Dipole, Da:	7.42
IP(EA), eV:	-10.32(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-hydroxy-2-(propylamino)ethyl]phenol;hydrochloride

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C#N)S(=O)(=O)Cl

DOS

IR

Vibrations