Geometry & MOs

Info

ID:	209384
PubChem CID:	80663352
Reduced:	ON3C17H23 (1)
Stoich.:	AB3C17D23 (1)
Weight, g/mol:	315.9031
ΔH_f, kcal/mol:	-9.69
Dipole, Da:	3.37
IP(EA), eV:	-8.38(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-(1-chloroethyl)-5-iodo-6-methylpyrimidine

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)COC2=CC(=C(C=C2)C(C)C)C)NC

DOS

IR

Vibrations