Geometry & MOs

Info

ID:	294047
PubChem CID:	117425230
Reduced:	ClN2O3C12H13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	268.086622
ΔH_f, kcal/mol:	-43.29
Dipole, Da:	3.84
IP(EA), eV:	-8.7(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(4-chloro-2-methoxy-3,6-dimethylphenyl)cyclopropyl]acetic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1OC)Cl)OC)C2=CC(=NO2)N

DOS

IR

Vibrations