Geometry & MOs

Info

ID:	14669
PubChem CID:	417219
Reduced:	NO5C10H13 (2)
Stoich.:	AB5C10D13 (2)
Weight, g/mol:	454.158745
ΔH_f, kcal/mol:	-423.19
Dipole, Da:	4.54
IP(EA), eV:	-8.18(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,4,5-triacetyloxy-6-(2,4-diaminophenoxy)oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(=O)OCC1C(C(C(C(O1)OC2=C(C=C(C=C2)N)N)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations