Geometry & MOs

Info

ID:	183681
PubChem CID:	77055098
Reduced:	ClBr2N2O2H9C13 (1)
Stoich.:	AB2C2D2E9F13 (1)
Weight, g/mol:	415.91942
ΔH_f, kcal/mol:	17.58
Dipole, Da:	1.95
IP(EA), eV:	-9.1(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(2,4-dibromophenoxy)-1,3-dimethylpyrazol-4-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(=NO)N)Cl)OC2=C(C=C(C=C2)Br)Br

DOS

IR

Vibrations