Geometry & MOs

Info

ID:	135587
PubChem CID:	51897112
Reduced:	FN2O3H17C19 (1)
Stoich.:	AB2C3D17E19 (1)
Weight, g/mol:	401.14475
ΔH_f, kcal/mol:	-124.66
Dipole, Da:	3.16
IP(EA), eV:	-9.37(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C2C(=N1)C=CN(C2=O)[C@@H](C)C3=CC=C(C=C3)F)C(=O)OC

DOS

IR

Vibrations