Geometry & MOs

Info

ID:	187196
PubChem CID:	77543395
Reduced:	ClN2O2H7C9 (1)
Stoich.:	AB2C2D7E9 (1)
Weight, g/mol:	396.06847
ΔH_f, kcal/mol:	-17.4
Dipole, Da:	2.19
IP(EA), eV:	-9.57(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-bromo-5-(4-ethyl-2,5-dimethylpyrazol-3-yl)oxy-4-methylphenoxy]propanoic acid

Drug info:

PubChemData

Smile

COC1=CN=C2C=CC(C(=O)C2=N1)Cl

DOS

IR

Vibrations