Geometry & MOs

Info

ID:	210878
PubChem CID:	80867299
Reduced:	O3N5C13H13 (1)
Stoich.:	A3B5C13D13 (1)
Weight, g/mol:	282.148061
ΔH_f, kcal/mol:	0.72
Dipole, Da:	2.92
IP(EA), eV:	-9.35(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[5-ethyl-6-(ethylamino)pyrimidin-4-yl]oxyphenyl]acetonitrile

Drug info:

PubChemData

Smile

CNC1=NC(=NC(=N1)OC2=C(C=C(C=C2)C#N)OC)OC

DOS

IR

Vibrations