Geometry & MOs

Info

ID:	174933
PubChem CID:	75834646
Reduced:	ON4C25H41 (1)
Stoich.:	AB4C25D41 (1)
Weight, g/mol:	361.179027
ΔH_f, kcal/mol:	-23.94
Dipole, Da:	6.28
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755411
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(4-phenylphenyl)ethanone

Drug info:

PubChemData

Smile

C1CCC(CC1)CN2CCC[NH+](CC2)CC(=O)NCC3CCN(C3)C4=CC=CC=C4

DOS

IR

Vibrations