Geometry & MOs

Info

ID:	136926
PubChem CID:	52123296
Reduced:	O2N5C27H34 (1)
Stoich.:	A2B5C27D34 (1)
Weight, g/mol:	459.263425
ΔH_f, kcal/mol:	5.65
Dipole, Da:	10.3
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.010130
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN=C(O2)C[NH+]3CCC(CC3)C(=O)NCCN4CCCC5=CC=CC=C54

DOS

IR

Vibrations