Geometry & MOs

Info

ID:	52045
PubChem CID:	12014821
Reduced:	O3C14H20 (1)
Stoich.:	A3B14C20 (1)
Weight, g/mol:	228.078644
ΔH_f, kcal/mol:	-133.17
Dipole, Da:	1.43
IP(EA), eV:	-8.74(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methylphenyl) 4-hydroxybenzoate

Drug info:

PubChemData

Smile

CCCCOC(=O)CCC1=CC=C(C=C1)OC

DOS

IR

Vibrations