Geometry & MOs

Info

ID:	272526
PubChem CID:	103744511
Reduced:	ON6C8H12 (1)
Stoich.:	AB6C8D12 (1)
Weight, g/mol:	245.152812
ΔH_f, kcal/mol:	83.34
Dipole, Da:	4.24
IP(EA), eV:	-9.6(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2,4-oxadiazol-5-yl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine

Drug info:

PubChemData

Smile

CN1C=C(N=N1)CNCCC2=NC=NO2

DOS

IR

Vibrations