Geometry & MOs

Info

ID:	190571
PubChem CID:	78022868
Reduced:	ON3H9C13 (1)
Stoich.:	AB3C9D13 (1)
Weight, g/mol:	354.147867
ΔH_f, kcal/mol:	79.43
Dipole, Da:	8.17
IP(EA), eV:	-9.72(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-acetyloxy-6-(2-fluorophenoxy)-3,4-dimethyloxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(=C1C=NC(=O)N=C1)C2=CC=C(C=C2)C#N

DOS

IR

Vibrations