Geometry & MOs

Info

ID:	136936
PubChem CID:	52125056
Reduced:	N5O5C23H32 (1)
Stoich.:	A5B5C23D32 (1)
Weight, g/mol:	496.232185
ΔH_f, kcal/mol:	-111.15
Dipole, Da:	6.66
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.210432
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[NH+](CCC1C(=O)NCCCN2CCOCC2)CC3=NN=C(O3)C4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations