Geometry & MOs

Info

ID:	333058
PubChem CID:	127251482
Reduced:	O3N4C26H30 (1)
Stoich.:	A3B4C26D30 (1)
Weight, g/mol:	426.145868
ΔH_f, kcal/mol:	-53.62
Dipole, Da:	6.58
IP(EA), eV:	-8.85(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-[(2-chlorophenyl)methyl]-6-methylpyridin-2-yl]morpholin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)C(=O)C3=NNC4=C3CCCC4)CC5=CC(=CC=C5)OC

DOS

IR

Vibrations