Geometry & MOs

Info

ID:	260010
PubChem CID:	103179099
Reduced:	NO5C13H19 (1)
Stoich.:	AB5C13D19 (1)
Weight, g/mol:	259.214744
ΔH_f, kcal/mol:	-189.05
Dipole, Da:	6.54
IP(EA), eV:	-8.73(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[2-(3-methoxypropoxy)ethylamino]methyl]-3-methylcyclohexan-1-ol

Drug info:

PubChemData

Smile

COCCCOCCOC1=C(C=CC(=C1)C(=O)O)N

DOS

IR

Vibrations