Geometry & MOs

Info

ID:	407757
PubChem CID:	135080512
Reduced:	ON3C10H11 (1)
Stoich.:	AB3C10D11 (1)
Weight, g/mol:	174.089209
ΔH_f, kcal/mol:	24.7
Dipole, Da:	4.97
IP(EA), eV:	-8.57(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3S)-2,3-dihydroxycyclohexyl] acetate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1N)C2=CC=NN2

DOS

IR

Vibrations