Geometry & MOs

Info

ID:	171702
PubChem CID:	75414568
Reduced:	NO3C14H21 (1)
Stoich.:	AB3C14D21 (1)
Weight, g/mol:	301.106256
ΔH_f, kcal/mol:	-133.01
Dipole, Da:	5.44
IP(EA), eV:	-9.44(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

C1CCC(C1)OC(=O)C2CCCN2C(=O)C3CC3

DOS

IR

Vibrations