Geometry & MOs

Info

ID:	136919
PubChem CID:	52122733
Reduced:	O2N5C18H23 (1)
Stoich.:	A2B5C18D23 (1)
Weight, g/mol:	450.133732
ΔH_f, kcal/mol:	7.71
Dipole, Da:	4.82
IP(EA), eV:	-9.21(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CC1CNC(=O)C2CCN(CC2)CC3=NN=C(O3)C4=CN=CC=C4

DOS

IR

Vibrations