Geometry & MOs

Info

ID:	138522
PubChem CID:	52379234
Reduced:	ON4C23H37 (1)
Stoich.:	AB4C23D37 (1)
Weight, g/mol:	307.13322
ΔH_f, kcal/mol:	-9.13
Dipole, Da:	2.2
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754762
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azaniumyl]-2-(4-fluoro-3-methylphenyl)acetate

Drug info:

PubChemData

Smile

C1CCC[NH+](CC1)CC(=O)N2CCC[C@@H](C2)N3CCN(CC3)C4=CC=CC=C4

DOS

IR

Vibrations