Geometry & MOs

Info

ID:	23772
PubChem CID:	606054
Reduced:	BrN2O2C6H7 (1)
Stoich.:	AB2C2D6E7 (1)
Weight, g/mol:	217.96909
ΔH_f, kcal/mol:	-44.4
Dipole, Da:	2.51
IP(EA), eV:	-10.11(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-ethylpyrazole-3-carboxylic acid

Drug info:

PubChemData

Smile

CCN1C(=C(C=N1)Br)C(=O)O

DOS

IR

Vibrations