Geometry & MOs

Info

ID:	255441
PubChem CID:	103132059
Reduced:	BrN4C12H15 (1)
Stoich.:	AB4C12D15 (1)
Weight, g/mol:	222.067224
ΔH_f, kcal/mol:	55.59
Dipole, Da:	5.3
IP(EA), eV:	-9.51(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2,5-dimethyl-6-(1-methylpyrazol-3-yl)pyrimidine

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=CC(=N1)Br)C2=NN(C=C2)C

DOS

IR

Vibrations