Geometry & MOs

Info

ID:	306242
PubChem CID:	125003307
Reduced:	O3N4C17H20 (1)
Stoich.:	A3B4C17D20 (1)
Weight, g/mol:	328.153541
ΔH_f, kcal/mol:	-70.34
Dipole, Da:	7.71
IP(EA), eV:	-9.85(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-[(2R)-4-(2-methylpyridine-3-carbonyl)morpholin-2-yl]ethyl]-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(C=CC=N1)C(=O)N2CCO[C@H](C2)CCC3=CC(=O)N=CN3

DOS

IR

Vibrations