Geometry & MOs

Info

ID:	28716
PubChem CID:	829117
Reduced:	O3N4C16H16 (1)
Stoich.:	A3B4C16D16 (1)
Weight, g/mol:	328.074702
ΔH_f, kcal/mol:	-25.31
Dipole, Da:	5.16
IP(EA), eV:	-8.76(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(2-fluorophenoxy)-2-methyl-4-oxochromen-7-yl] acetate

Drug info:

PubChemData

Smile

CCCC1=C2[C@@H](C(=C(OC2=NN1)N)C#N)C3=CC(=C(C=C3)O)O

DOS

IR

Vibrations