Geometry & MOs

Info

ID:	413976
PubChem CID:	135086929
Reduced:	FOC5H5 (3)
Stoich.:	ABC5D5 (3)
Weight, g/mol:	250.120509
ΔH_f, kcal/mol:	-274.89
Dipole, Da:	4.95
IP(EA), eV:	-10.1(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methoxyphenyl)-2-oxoethyl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

C1CC2(CC(=O)C1C3=CC=C(C=C3)C(F)(F)F)OCCO2

DOS

IR

Vibrations