Geometry & MOs

Info

ID:	211417
PubChem CID:	80945672
Reduced:	ClON2C15H17 (1)
Stoich.:	ABC2D15E17 (1)
Weight, g/mol:	250.098524
ΔH_f, kcal/mol:	-3.26
Dipole, Da:	1.01
IP(EA), eV:	-9.06(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-(1-ethylimidazol-2-yl)-2-propylpyrimidine

Drug info:

PubChemData

Smile

CCCC1=NC(=CC(=N1)Cl)C2=CC=CC=C2OCC

DOS

IR

Vibrations