Geometry & MOs

Info

ID:	284819
PubChem CID:	104072317
Reduced:	SO4H14C15 (1)
Stoich.:	AB4C14D15 (1)
Weight, g/mol:	325.02146
ΔH_f, kcal/mol:	-86.91
Dipole, Da:	6.89
IP(EA), eV:	-8.7(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(2-bromophenyl)ethylamino]benzene-1,2-dicarbonitrile

Drug info:

PubChemData

Smile

C1COC2=C(C=C(C=C2)SCC3=CC=C(O3)C=O)OC1

DOS

IR

Vibrations