Geometry & MOs

Info

ID:	331999
PubChem CID:	127250285
Reduced:	O3N4H20C22 (1)
Stoich.:	A3B4C20D22 (1)
Weight, g/mol:	314.13789
ΔH_f, kcal/mol:	-27.04
Dipole, Da:	3.37
IP(EA), eV:	-9.26(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-1-[2-(5-pyrimidin-5-ylpyridin-2-yl)morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)C2=CC=CC=N2)C3=NC=C(C=C3)C4=CC(=CC=C4)C(=O)N

DOS

IR

Vibrations