Geometry & MOs

Info

ID:	283021
PubChem CID:	103953563
Reduced:	NO3C14H21 (1)
Stoich.:	AB3C14D21 (1)
Weight, g/mol:	267.147058
ΔH_f, kcal/mol:	-132.54
Dipole, Da:	2.09
IP(EA), eV:	-8.72(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(3-hydroxycyclohexyl)methylamino]methyl]benzene-1,2,3-triol

Drug info:

PubChemData

Smile

C1CC(CC(C1)O)CNCC2=CC(=C(C=C2)O)O

DOS

IR

Vibrations