Geometry & MOs

Info

ID:	198708
PubChem CID:	79139754
Reduced:	N2O2H12C13 (1)
Stoich.:	A2B2C12D13 (1)
Weight, g/mol:	289.179027
ΔH_f, kcal/mol:	8.06
Dipole, Da:	2.73
IP(EA), eV:	-9.01(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-nitrophenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine

Drug info:

PubChemData

Smile

CNCC1=C(OC=N1)C2=COC3=CC=CC=C32

DOS

IR

Vibrations