Geometry & MOs

Info

ID:	333729
PubChem CID:	127252281
Reduced:	SN4O4C21H22 (1)
Stoich.:	AB4C4D21E22 (1)
Weight, g/mol:	361.153875
ΔH_f, kcal/mol:	-92.44
Dipole, Da:	2.2
IP(EA), eV:	-9.21(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)CC2=CC=NC=C2)C3=C(SC4=C3C=CC=N4)C(=O)NCCO

DOS

IR

Vibrations