Geometry & MOs

Info

ID:	332275
PubChem CID:	127250561
Reduced:	O3N4C26H30 (1)
Stoich.:	A3B4C26D30 (1)
Weight, g/mol:	434.206639
ΔH_f, kcal/mol:	-52.24
Dipole, Da:	5.2
IP(EA), eV:	-8.5(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NC(=CC=C2)C3CN(CCO3)C(=O)CCC4=NNC5=C4CCCC5

DOS

IR

Vibrations