Geometry & MOs

Info

ID:	48368
PubChem CID:	10540696
Reduced:	OC3H4 (5)
Stoich.:	AB3C4 (5)
Weight, g/mol:	284.141245
ΔH_f, kcal/mol:	-174.03
Dipole, Da:	2.16
IP(EA), eV:	-9.53(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-methoxyphenoxy)phenyl]pentan-1-one

Drug info:

PubChemData

Smile

C=CCO[C@@H]1[C@@H]([C@H]([C@@H](CO1)O)O)OCC2=CC=CC=C2

DOS

IR

Vibrations