Geometry & MOs

Info

ID:	339099
PubChem CID:	127260356
Reduced:	FO3H11C14 (1)
Stoich.:	AB3C11D14 (1)
Weight, g/mol:	326.188195
ΔH_f, kcal/mol:	-128.91
Dipole, Da:	2.15
IP(EA), eV:	-9.43(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-hydroxy-3-(2,4,4-trimethylpentan-2-yl)phenyl] benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)OCC2=C(C=C(C=C2)O)F

DOS

IR

Vibrations