Geometry & MOs

Info

ID:	136911
PubChem CID:	52121712
Reduced:	O2N4C23H34 (1)
Stoich.:	A2B4C23D34 (1)
Weight, g/mol:	427.307302
ΔH_f, kcal/mol:	-54.74
Dipole, Da:	4.46
IP(EA), eV:	-8.87(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-N,N-bis(2-methylpropyl)piperidin-1-ium-4-carboxamide

Drug info:

PubChemData

Smile

CCCCN(CC)C(=O)C1CCN(CC1)CC2=NN=C(O2)C3=CC(=C(C=C3)C)C

DOS

IR

Vibrations