Geometry & MOs

Info

ID:	339109
PubChem CID:	127260366
Reduced:	O3C13H16 (1)
Stoich.:	A3B13C16 (1)
Weight, g/mol:	284.141245
ΔH_f, kcal/mol:	-104.56
Dipole, Da:	3.75
IP(EA), eV:	-10.1(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-hydroxy-4-(2-methylbutan-2-yl)phenyl] benzoate

Drug info:

PubChemData

Smile

CC/C=C/C(COC(=O)C1=CC=CC=C1)O

DOS

IR

Vibrations