Geometry & MOs

Info

ID:	225984
PubChem CID:	87246543
Reduced:	IBr2N2H19C20 (1)
Stoich.:	AB2C2D19E20 (1)
Weight, g/mol:	575.90957
ΔH_f, kcal/mol:	91.05
Dipole, Da:	2.07
IP(EA), eV:	-8.76(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-(2-cyclohexylethynyl)aniline;N-bromo-2-iodoaniline

Drug info:

PubChemData

Smile

C1CCC(CC1)C#CC2=C(C=CC(=C2)Br)NN(C3=CC=CC=C3I)Br

DOS

IR

Vibrations