Geometry & MOs

Info

ID:	284924
PubChem CID:	104083713
Reduced:	BrN2O2C9H11 (1)
Stoich.:	AB2C2D9E11 (1)
Weight, g/mol:	272.01604
ΔH_f, kcal/mol:	-57.01
Dipole, Da:	7.53
IP(EA), eV:	-10.41(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1-cyclohexylpyrazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CCC(C1)N2C(=C(C=N2)C(=O)O)Br

DOS

IR

Vibrations