Geometry & MOs

Info

ID:	372053
PubChem CID:	131290964
Reduced:	BrOCl2H7C8 (1)
Stoich.:	ABC2D7E8 (1)
Weight, g/mol:	219.064391
ΔH_f, kcal/mol:	-36.07
Dipole, Da:	3.47
IP(EA), eV:	-9.23(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-1-(pyridin-2-ylmethyl)pyrazole-3-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)Cl)CCl)Br

DOS

IR

Vibrations