Geometry & MOs

Info

ID:	255435
PubChem CID:	103132020
Reduced:	ClN7H8C10 (1)
Stoich.:	AB7C8D10 (1)
Weight, g/mol:	250.098524
ΔH_f, kcal/mol:	143.24
Dipole, Da:	5.96
IP(EA), eV:	-9.84(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-5-methyl-6-(1-methylpyrazol-3-yl)-2-propylpyrimidine

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C2=NC(=NC(=N2)Cl)N3C=CN=C3

DOS

IR

Vibrations