Geometry & MOs

Info

ID:	211015
PubChem CID:	80883808
Reduced:	FON3H10C13 (1)
Stoich.:	ABC3D10E13 (1)
Weight, g/mol:	254.174276
ΔH_f, kcal/mol:	5.2
Dipole, Da:	7.14
IP(EA), eV:	-9.04(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-6-(3-methylbutan-2-yloxy)-N-propyl-1,3,5-triazin-2-amine

Drug info:

PubChemData

Smile

CNC1=NC(=CC=C1)OC2=CC(=C(C=C2)C#N)F

DOS

IR

Vibrations