Geometry & MOs

Info

ID:	309730
PubChem CID:	126556569
Reduced:	FON7H16C24 (1)
Stoich.:	ABC7D16E24 (1)
Weight, g/mol:	298.156895
ΔH_f, kcal/mol:	144.4
Dipole, Da:	9.2
IP(EA), eV:	-8.83(-2.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-(4-propylphenoxy)ethoxy]phenyl]ethanone

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C2=CN=CC3=N/C(=C\4/C5=C(C=CC(=N5)C6=CC=NC=C6)NN4)/N=C23)F

DOS

IR

Vibrations