Geometry & MOs

Info

ID:	216902
PubChem CID:	85086948
Reduced:	N2O5H14C16 (1)
Stoich.:	A2B5C14D16 (1)
Weight, g/mol:	314.136553
ΔH_f, kcal/mol:	-134.12
Dipole, Da:	3.45
IP(EA), eV:	-9.88(-2.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-acetyloxy-3-(4-methoxy-3,3-dimethyl-6-oxo-2H-pyran-2-yl)propyl] acetate

Drug info:

PubChemData

Smile

CCOC(=O)C(=C1C2=C(C=CC(=C2)C(=O)OC)C(=O)N1C)C#N

DOS

IR

Vibrations