Geometry & MOs

Info

ID:	294465
PubChem CID:	117462440
Reduced:	ClFN2O2C13H16 (1)
Stoich.:	ABC2D2E13F16 (1)
Weight, g/mol:	286.097187
ΔH_f, kcal/mol:	-95.39
Dipole, Da:	4.8
IP(EA), eV:	-8.7(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chloro-3,4-dimethoxy-6-methylphenyl)-2,2-dimethylpropanoic acid

Drug info:

PubChemData

Smile

C1CN(CCN1)CC2=C3C(=CC(=C2F)Cl)OCCO3

DOS

IR

Vibrations