Geometry & MOs

Info

ID:	1095
PubChem CID:	3779
Reduced:	NO3C11H17 (1)
Stoich.:	AB3C11D17 (1)
Weight, g/mol:	211.120843
ΔH_f, kcal/mol:	-123.51
Dipole, Da:	3.59
IP(EA), eV:	-8.68(0.07)
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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations