Geometry & MOs

Info

ID:	204913
PubChem CID:	80029959
Reduced:	NOH6C7 (2)
Stoich.:	ABC6D7 (2)
Weight, g/mol:	265.106256
ΔH_f, kcal/mol:	-7.38
Dipole, Da:	4.05
IP(EA), eV:	-9.05(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(2-methoxyethoxy)ethylamino]-2-nitrobenzonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OC2=CC(=C(C=C2)C#N)N)CO

DOS

IR

Vibrations