Geometry & MOs

Info

ID:	18237
PubChem CID:	539032
Reduced:	NO8C16H17 (1)
Stoich.:	AB8C16D17 (1)
Weight, g/mol:	351.095417
ΔH_f, kcal/mol:	-234.12
Dipole, Da:	7.26
IP(EA), eV:	-9.82(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-acetyloxy-6-(4-nitrophenoxy)-3,6-dihydro-2H-pyran-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(=O)OCC1C(C=CC(O1)OC2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C

DOS

IR

Vibrations