Geometry & MOs

Info

ID:	210559
PubChem CID:	80822831
Reduced:	ON4C14H16 (1)
Stoich.:	AB4C14D16 (1)
Weight, g/mol:	253.132746
ΔH_f, kcal/mol:	21.75
Dipole, Da:	2.76
IP(EA), eV:	-8.78(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[methyl-[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]benzonitrile

Drug info:

PubChemData

Smile

CNC1=NC=CC(=N1)NCC2CC3=CC=CC=C3O2

DOS

IR

Vibrations