Geometry & MOs

Info

ID:	1279
PubChem CID:	4086
Reduced:	NO3C11H17 (1)
Stoich.:	AB3C11D17 (1)
Weight, g/mol:	211.120843
ΔH_f, kcal/mol:	-129.16
Dipole, Da:	2.44
IP(EA), eV:	-9.1(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,3-diol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations