Geometry & MOs

Info

ID:	272520
PubChem CID:	103744401
Reduced:	O4N5C12H13 (1)
Stoich.:	A4B5C12D13 (1)
Weight, g/mol:	234.07529
ΔH_f, kcal/mol:	-5.53
Dipole, Da:	2.55
IP(EA), eV:	-9.54(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-nitro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]aniline

Drug info:

PubChemData

Smile

CNC(=O)C1=CC(=C(C=C1)NCCC2=NC=NO2)[N+](=O)[O-]

DOS

IR

Vibrations