Geometry & MOs

Info

ID:	143789
PubChem CID:	53263021
Reduced:	BrN2O2C15H17 (1)
Stoich.:	AB2C2D15E17 (1)
Weight, g/mol:	274.03169
ΔH_f, kcal/mol:	-25.37
Dipole, Da:	5.35
IP(EA), eV:	-9.49(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-bromo-5-tert-butyl-2-methylpyrazole-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(C(=NN1C2=CC=CC=C2)C(=O)OC)Br

DOS

IR

Vibrations