Geometry & MOs

Info

ID:	272537
PubChem CID:	103744660
Reduced:	N3O3C13H17 (1)
Stoich.:	A3B3C13D17 (1)
Weight, g/mol:	235.070539
ΔH_f, kcal/mol:	-29.64
Dipole, Da:	2.72
IP(EA), eV:	-8.36(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-nitro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridin-2-amine

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)CNCCC2=NC=NO2

DOS

IR

Vibrations