Geometry & MOs

Info

ID:	443411
PubChem CID:	135258918
Reduced:	ClN3O4C12H18 (1)
Stoich.:	AB3C4D12E18 (1)
Weight, g/mol:	294.132805
ΔH_f, kcal/mol:	-78.07
Dipole, Da:	5.75
IP(EA), eV:	-9.04(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-3-nitrobenzonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)[N+](=O)[O-])NCCOCCOCCN

DOS

IR

Vibrations