Geometry & MOs

Info

ID:	333683
PubChem CID:	127252235
Reduced:	ClO2N3C22H22 (1)
Stoich.:	AB2C3D22E22 (1)
Weight, g/mol:	360.158626
ΔH_f, kcal/mol:	-10.48
Dipole, Da:	3.12
IP(EA), eV:	-9.22(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CC1C2=NNC(=C2)COC3=CC=C(C=C3)Cl)C(=O)CC4=CC=CC=C4

DOS

IR

Vibrations