Geometry & MOs

Info

ID:	331445
PubChem CID:	127248852
Reduced:	O3N6C23H26 (1)
Stoich.:	A3B6C23D26 (1)
Weight, g/mol:	448.222289
ΔH_f, kcal/mol:	-25.56
Dipole, Da:	6.54
IP(EA), eV:	-8.67(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-(dimethylamino)-5-pyrimidin-5-ylpyrimidin-4-yl]morpholin-4-yl]-2-(2,6-dimethylphenoxy)ethanone

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(C(=N1)C2CN(CCO2)C(=O)C3=CN=C(C=C3)N)C4=CC(=CC=C4)OC

DOS

IR

Vibrations