Geometry & MOs

Info

ID:	210864
PubChem CID:	80864521
Reduced:	ClON3C13H14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	257.152812
ΔH_f, kcal/mol:	3.13
Dipole, Da:	1.74
IP(EA), eV:	-9.04(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-6-(4-ethylphenoxy)-2-methylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCNC1=CC(=NC(=N1)C)OC2=CC=CC=C2Cl

DOS

IR

Vibrations