Geometry & MOs

Info

ID:	1080
PubChem CID:	3762
Reduced:	NO3C13H21 (1)
Stoich.:	AB3C13D21 (1)
Weight, g/mol:	239.152144
ΔH_f, kcal/mol:	-135.47
Dipole, Da:	4.61
IP(EA), eV:	-8.61(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-hydroxy-2-(propan-2-ylamino)butyl]benzene-1,2-diol

Drug info:

PubChemData

Smile

CCC(C(C1=CC(=C(C=C1)O)O)O)NC(C)C

DOS

IR

Vibrations