Geometry & MOs

Info

ID:	146432
PubChem CID:	53688121
Reduced:	O3C7H14 (1)
Stoich.:	A3B7C14 (1)
Weight, g/mol:	517.246438
ΔH_f, kcal/mol:	-157.34
Dipole, Da:	3.1
IP(EA), eV:	-10.68(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-5-[4-[3-[4-[4-(2-methylpropyl)phenoxy]-2-propylphenoxy]propoxy]phenyl]-3H-1,3-oxazol-2-one

Drug info:

PubChemData

Smile

CCC(CC)OC(=O)CO

DOS

IR

Vibrations