Geometry & MOs

Info

ID:	360144
PubChem CID:	127300720
Reduced:	O3N4H18C20 (1)
Stoich.:	A3B4C18D20 (1)
Weight, g/mol:	376.189926
ΔH_f, kcal/mol:	-27.36
Dipole, Da:	2.26
IP(EA), eV:	-8.93(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

C1CC2(CCC1C3=NC(=NO3)C4=CC=CC5=CC=CC=C54)C(=O)NC(=O)N2

DOS

IR

Vibrations