Geometry & MOs

Info

ID:	136916
PubChem CID:	52122272
Reduced:	O2N6C23H36 (1)
Stoich.:	A2B6C23D36 (1)
Weight, g/mol:	426.274324
ΔH_f, kcal/mol:	-11.78
Dipole, Da:	11.63
IP(EA), eV:	-6.66(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[NH+]1CCN(CC1)CCNC(=O)C2CC[NH+](CC2)CC3=NN=C(O3)C4=CC=CC=C4

DOS

IR

Vibrations