Geometry & MOs

Info

ID:	32507
PubChem CID:	7840217
Reduced:	NCl2O4H15C17 (1)
Stoich.:	AB2C4D15E17 (1)
Weight, g/mol:	274.100523
ΔH_f, kcal/mol:	-144.61
Dipole, Da:	5.05
IP(EA), eV:	-9.19(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-1-(4-fluorophenyl)ethyl] 2-hydroxy-3-methylbenzoate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CC(=O)OCC(=O)NC2=CC(=CC(=C2)Cl)Cl

DOS

IR

Vibrations