Geometry & MOs

Info

ID:	255436
PubChem CID:	103132021
Reduced:	ClN4C12H15 (1)
Stoich.:	AB4C12D15 (1)
Weight, g/mol:	278.01671
ΔH_f, kcal/mol:	53.72
Dipole, Da:	5.57
IP(EA), eV:	-9.34(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1=NC(=C(C(=N1)Cl)C)C2=NN(C=C2)C

DOS

IR

Vibrations