Geometry & MOs

Info

ID:	332260
PubChem CID:	127250546
Reduced:	N4O4C25H28 (1)
Stoich.:	A4B4C25D28 (1)
Weight, g/mol:	420.190989
ΔH_f, kcal/mol:	-103.15
Dipole, Da:	4.09
IP(EA), eV:	-8.69(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-dimethyl-1-[3-oxo-3-[2-(6-pyrimidin-5-ylpyridin-2-yl)morpholin-4-yl]propyl]pyrimidin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=NC(=O)N1CCC(=O)N2CCOC(C2)C3=CC=CC(=N3)C4=CC=C(C=C4)OC)C

DOS

IR

Vibrations