Geometry & MOs

Info

ID:	212990
PubChem CID:	81062453
Reduced:	NSO3C13H17 (1)
Stoich.:	ABC3D13E17 (1)
Weight, g/mol:	217.204179
ΔH_f, kcal/mol:	-67.85
Dipole, Da:	2.68
IP(EA), eV:	-9.12(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-[methyl(2-propan-2-yloxyethyl)amino]pentan-2-ol

Drug info:

PubChemData

Smile

CCOCCN(C)C(=O)C1=C(C=CS1)C#CCO

DOS

IR

Vibrations