Geometry & MOs

Info

ID:	276603
PubChem CID:	103824442
Reduced:	ON2F3C13H17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	269.12766
ΔH_f, kcal/mol:	-171.98
Dipole, Da:	4.53
IP(EA), eV:	-9.43(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(2-amino-6-methoxypyrimidin-4-yl)-methylamino]methyl]benzonitrile

Drug info:

PubChemData

Smile

CC(C)(CNCC1=CC(=C(C(=C1)F)F)F)C(=O)NC

DOS

IR

Vibrations