Geometry & MOs

Info

ID:	172277
PubChem CID:	75487983
Reduced:	NO4C11H19 (1)
Stoich.:	AB4C11D19 (1)
Weight, g/mol:	244.089958
ΔH_f, kcal/mol:	-186.2
Dipole, Da:	3.92
IP(EA), eV:	-10.15(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(5-fluoro-2-methylphenyl)benzoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](C1CC1)C(=O)OC

DOS

IR

Vibrations