Geometry & MOs

Info

ID:	15023
PubChem CID:	427405
Reduced:	N2O4C15H16 (1)
Stoich.:	A2B4C15D16 (1)
Weight, g/mol:	288.111007
ΔH_f, kcal/mol:	-44.47
Dipole, Da:	6.32
IP(EA), eV:	-8.64(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(3-nitrophenoxy)propoxy]aniline

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OCCCOC2=CC=CC(=C2)[N+](=O)[O-])N

DOS

IR

Vibrations