Geometry & MOs

Info

ID:	328085
PubChem CID:	126692015
Reduced:	ON2C11H16 (1)
Stoich.:	AB2C11D16 (1)
Weight, g/mol:	221.126323
ΔH_f, kcal/mol:	-13.88
Dipole, Da:	2.17
IP(EA), eV:	-10.03(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,6S)-2-(2-aminoethoxy)-5-(hydroxymethyl)-6-methyloxane-3,4-diol

Drug info:

PubChemData

Smile

C1CC1CCC(C2=CC=CC=N2)(N)O

DOS

IR

Vibrations