Geometry & MOs

Info

ID:	212689
PubChem CID:	81061529
Reduced:	NSO3C14H19 (1)
Stoich.:	ABC3D14E19 (1)
Weight, g/mol:	231.219829
ΔH_f, kcal/mol:	-79.48
Dipole, Da:	5.59
IP(EA), eV:	-9.16(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[methyl(2-propan-2-yloxyethyl)amino]heptan-4-ol

Drug info:

PubChemData

Smile

CCOCCN(C)C(=O)C1=CC(=C(S1)C#CCO)C

DOS

IR

Vibrations