Geometry & MOs

Info

ID:	333691
PubChem CID:	127252243
Reduced:	N3O3C25H25 (1)
Stoich.:	A3B3C25D25 (1)
Weight, g/mol:	374.174276
ΔH_f, kcal/mol:	-54.2
Dipole, Da:	6.11
IP(EA), eV:	-9.12(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)CCC2=CC=CC=C2)C3=CC=CC(=N3)C4=CC=C(C=C4)C(=O)N

DOS

IR

Vibrations