Geometry & MOs

Info

ID:	25698
PubChem CID:	629338
Reduced:	BrON3C14H14 (1)
Stoich.:	ABC3D14E14 (1)
Weight, g/mol:	446.76222
ΔH_f, kcal/mol:	10.75
Dipole, Da:	3.18
IP(EA), eV:	-8.67(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,4,4-tetrachloro-6-iodo-6-propyl-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene

Drug info:

PubChemData

Smile

C1CCN2C(=NC(=C2C(=O)C3=CC=C(C=C3)Br)N)C1

DOS

IR

Vibrations