Geometry & MOs

Info

ID:	289138
PubChem CID:	104337406
Reduced:	OCl2N2H12C13 (1)
Stoich.:	AB2C2D12E13 (1)
Weight, g/mol:	296.048318
ΔH_f, kcal/mol:	-2.38
Dipole, Da:	1.58
IP(EA), eV:	-9.56(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-(3-chloro-4-methylphenyl)-2-(ethoxymethyl)pyrimidine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=CC(=NC(=N2)COC)Cl)Cl

DOS

IR

Vibrations