Geometry & MOs

Info

ID:	331449
PubChem CID:	127248856
Reduced:	O3N6C22H26 (1)
Stoich.:	A3B6C22D26 (1)
Weight, g/mol:	448.222289
ΔH_f, kcal/mol:	-9.85
Dipole, Da:	2.74
IP(EA), eV:	-8.85(-0.25)
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-methoxy-5-methylphenyl)ethanone

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(C(=N1)C2CN(CCO2)C(=O)CN3C=CC=N3)C4=CC(=CC=C4)OC

DOS

IR

Vibrations