Geometry & MOs

Info

ID:	332300
PubChem CID:	127250586
Reduced:	ON3C11H13 (2)
Stoich.:	AB3C11D13 (2)
Weight, g/mol:	408.135304
ΔH_f, kcal/mol:	14.69
Dipole, Da:	2.62
IP(EA), eV:	-8.99(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chlorophenyl)-1-[2-(6-pyrimidin-5-ylpyridin-2-yl)morpholin-4-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=NN2CCC(=O)N3CCOC(C3)C4=CC=CC(=N4)C5=CNN=C5

DOS

IR

Vibrations