Geometry & MOs

Info

ID:	282993
PubChem CID:	103951947
Reduced:	ON2C7H9 (2)
Stoich.:	AB2C7D9 (2)
Weight, g/mol:	227.126991
ΔH_f, kcal/mol:	-17.48
Dipole, Da:	7.06
IP(EA), eV:	-9.78(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]butanoate

Drug info:

PubChemData

Smile

CCOC(=O)C(C1=CC=CC=C1)NCC2=NN=CN2C

DOS

IR

Vibrations