Geometry & MOs

Info

ID:	289139
PubChem CID:	104337407
Reduced:	OCl2N2C14H14 (1)
Stoich.:	AB2C2D14E14 (1)
Weight, g/mol:	257.152812
ΔH_f, kcal/mol:	-4.32
Dipole, Da:	3.0
IP(EA), eV:	-9.51(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3,5-dimethylphenyl)-2-(ethoxymethyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCOCC1=NC(=CC(=N1)Cl)C2=CC(=C(C=C2)C)Cl

DOS

IR

Vibrations