Geometry & MOs

Info

ID:	332003
PubChem CID:	127250289
Reduced:	O3N4C22H24 (1)
Stoich.:	A3B4C22D24 (1)
Weight, g/mol:	361.153875
ΔH_f, kcal/mol:	-31.31
Dipole, Da:	7.46
IP(EA), eV:	-8.92(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CCC(=O)N2CCOC(C2)C3=NC=C(C=C3)C4=CNN=C4

DOS

IR

Vibrations