Geometry & MOs

Info

ID:	255440
PubChem CID:	103132058
Reduced:	ClON4C11H13 (1)
Stoich.:	ABC4D11E13 (1)
Weight, g/mol:	294.04801
ΔH_f, kcal/mol:	28.92
Dipole, Da:	4.76
IP(EA), eV:	-9.6(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-tert-butyl-6-(1-methylpyrazol-3-yl)pyrimidine

Drug info:

PubChemData

Smile

CCOCC1=NC(=CC(=N1)Cl)C2=NN(C=C2)C

DOS

IR

Vibrations