Geometry & MOs

Info

ID:	51497
PubChem CID:	12014175
Reduced:	BrH13C20 (3)
Stoich.:	AB13C20 (3)
Weight, g/mol:	763.91018
ΔH_f, kcal/mol:	228.98
Dipole, Da:	0.17
IP(EA), eV:	-8.76(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3,5-tribromo-2,4,6-tris(diethoxyphosphorylmethyl)benzene

Drug info:

PubChemData

Smile

C1=CC2=C3C(=C1)C4=C(C3=CC=C2)C=C(C=C4)CCC5=C(C(=C(C(=C5Br)CCC6=CC7=C(C=C6)C8=CC=CC9=C8C7=CC=C9)Br)CCC1=CC2=C(C=C1)C1=CC=CC3=C1C2=CC=C3)Br

DOS

IR

Vibrations