Geometry & MOs

Info

ID:	143788
PubChem CID:	53263020
Reduced:	ClN2O3H11C12 (1)
Stoich.:	AB2C3D11E12 (1)
Weight, g/mol:	336.04734
ΔH_f, kcal/mol:	-72.8
Dipole, Da:	3.02
IP(EA), eV:	-9.02(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-bromo-5-tert-butyl-1-phenylpyrazole-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1C=NN(C1=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations