Geometry & MOs

Info

ID:	295149
PubChem CID:	117518711
Reduced:	BrF3O4H10C12 (1)
Stoich.:	AB3C4D10E12 (1)
Weight, g/mol:	353.98513
ΔH_f, kcal/mol:	-289.35
Dipole, Da:	4.04
IP(EA), eV:	-9.82(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-bromo-4-formyl-2,3-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)C(=O)C1=C(C(=CC(=C1)Br)C(F)(F)F)OC

DOS

IR

Vibrations