Geometry & MOs

Info

ID:	292774
PubChem CID:	117358482
Reduced:	ClFN2O2H8C10 (1)
Stoich.:	ABC2D2E8F10 (1)
Weight, g/mol:	242.034586
ΔH_f, kcal/mol:	-45.84
Dipole, Da:	4.48
IP(EA), eV:	-9.41(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-chloro-3-methoxy-2,4-dimethylphenyl)-2-oxoacetic acid

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1Cl)F)C2=CC(=NO2)N

DOS

IR

Vibrations