Geometry & MOs

Info

ID:	136938
PubChem CID:	52125446
Reduced:	O3N4C25H31 (1)
Stoich.:	A3B4C25D31 (1)
Weight, g/mol:	473.279075
ΔH_f, kcal/mol:	-35.08
Dipole, Da:	7.57
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.984631
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzylpiperidin-4-yl)-1-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CCNC(=O)C2CC[NH+](CC2)CC3=NN=C(O3)C4=CC(=CC=C4)OC

DOS

IR

Vibrations