Geometry & MOs

Info

ID:	186705
PubChem CID:	77470761
Reduced:	OF4C31H32 (1)
Stoich.:	AB4C31D32 (1)
Weight, g/mol:	328.167459
ΔH_f, kcal/mol:	-182.78
Dipole, Da:	4.7
IP(EA), eV:	-8.92(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(1-methoxypropan-2-yloxy)-5-(2-phenylethoxy)phenyl]ethanone

Drug info:

PubChemData

Smile

CCCCOC1=C(C(=C(C=C1)C=CC2CCC(CC2)C3=C(C(=C(C=C3)C4=CC=C(C=C4)C)F)F)F)F

DOS

IR

Vibrations