Geometry & MOs

Info

ID:	138149
PubChem CID:	52318064
Reduced:	FO3N4C23H26 (1)
Stoich.:	AB3C4D23E26 (1)
Weight, g/mol:	425.198894
ΔH_f, kcal/mol:	-49.53
Dipole, Da:	2.96
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.769289
Charge, e:	1

Chem-info

IUPAC name:

2-[4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-ium-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)C[NH+]2CCC(CC2)C3=NC(=NO3)C4=CC(=CC=C4)F

DOS

IR

Vibrations