Geometry & MOs

Info

ID:	136539
PubChem CID:	52059192
Reduced:	FO2N4C21H28 (1)
Stoich.:	AB2C4D21E28 (1)
Weight, g/mol:	377.201122
ΔH_f, kcal/mol:	-52.15
Dipole, Da:	10.64
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.999644
Charge, e:	1

Chem-info

IUPAC name:

1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-(2-thiophen-2-ylethyl)piperidin-1-ium-4-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1CCCN(C1)C(=O)C2CC[NH+](CC2)CC3=NC(=NO3)C4=CC(=CC=C4)F

DOS

IR

Vibrations