Geometry & MOs

Info

ID:	164715
PubChem CID:	74442602
Reduced:	N3O3C17H27 (1)
Stoich.:	A3B3C17D27 (1)
Weight, g/mol:	358.164105
ΔH_f, kcal/mol:	-106.14
Dipole, Da:	2.59
IP(EA), eV:	-8.58(1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[1-methyl-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-yl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CN1C=CC=C1CNC2C3COC(O3)C(C2O)N4CCCCC4

DOS

IR

Vibrations