Geometry & MOs

Info

ID:	210562
PubChem CID:	80823447
Reduced:	ON3C6H10 (2)
Stoich.:	AB3C6D10 (2)
Weight, g/mol:	287.093773
ΔH_f, kcal/mol:	-71.98
Dipole, Da:	5.07
IP(EA), eV:	-8.82(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]-methylamino]benzonitrile

Drug info:

PubChemData

Smile

CCNC1=C(C(=NC(=N1)C)N(CC(=O)N)CC(=O)N)C

DOS

IR

Vibrations