Geometry & MOs

Info

ID:	293172
PubChem CID:	117375639
Reduced:	NO4C13H15 (1)
Stoich.:	AB4C13D15 (1)
Weight, g/mol:	249.111341
ΔH_f, kcal/mol:	-157.11
Dipole, Da:	1.25
IP(EA), eV:	-8.91(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[3-methoxy-2-(methoxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine

Drug info:

PubChemData

Smile

CN1C(=O)CCC2=C(C=CC=C21)C(C(=O)OC)O

DOS

IR

Vibrations