Geometry & MOs

Info

ID:	333689
PubChem CID:	127252241
Reduced:	N2O2C25H26 (1)
Stoich.:	A2B2C25D26 (1)
Weight, g/mol:	406.144806
ΔH_f, kcal/mol:	-20.3
Dipole, Da:	3.12
IP(EA), eV:	-9.24(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-(3-chlorophenyl)pyridin-2-yl]morpholin-4-yl]-3-phenylpropan-1-one

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)CCC2=CC=CC=C2)C3=CC=CC(=N3)CC4=CC=CC=C4

DOS

IR

Vibrations