Geometry & MOs

Info

ID:	49126
PubChem CID:	11528738
Reduced:	ON4C12H14 (1)
Stoich.:	AB4C12D14 (1)
Weight, g/mol:	230.151809
ΔH_f, kcal/mol:	27.43
Dipole, Da:	3.48
IP(EA), eV:	-8.71(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(1R,2S,3S)-3-hydroxy-2-[(1S)-1-hydroxyethyl]cyclohexyl]acetate

Drug info:

PubChemData

Smile

CN(CCO)C1=NC=C(C=N1)C2=CC=CC=N2

DOS

IR

Vibrations