Geometry & MOs

Info

ID:	9533
PubChem CID:	90607
Reduced:	O3C16H16 (1)
Stoich.:	A3B16C16 (1)
Weight, g/mol:	256.109944
ΔH_f, kcal/mol:	-89.47
Dipole, Da:	3.64
IP(EA), eV:	-9.24(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenylpropyl 2-hydroxybenzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCCOC(=O)C2=CC=CC=C2O

DOS

IR

Vibrations