Geometry & MOs

Info

ID:	211416
PubChem CID:	80945671
Reduced:	ClN4C13H17 (1)
Stoich.:	AB4C13D17 (1)
Weight, g/mol:	276.102941
ΔH_f, kcal/mol:	45.17
Dipole, Da:	5.14
IP(EA), eV:	-9.53(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-(2-ethoxyphenyl)-2-propylpyrimidine

Drug info:

PubChemData

Smile

CCCC1=NC(=CC(=N1)Cl)C2=CN(N=C2)CCC

DOS

IR

Vibrations