Geometry & MOs

Info

ID:	2099
PubChem CID:	5807
Reduced:	ClNO3C11H18 (1)
Stoich.:	ABC3D11E18 (1)
Weight, g/mol:	247.097521
ΔH_f, kcal/mol:	-155.09
Dipole, Da:	3.49
IP(EA), eV:	-9.04(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol;hydrochloride

Drug info:

PubChemData

Smile

CC(C)NCC(C1=CC(=C(C=C1)O)O)O.Cl

DOS

IR

Vibrations