Geometry & MOs

Info

ID:

404341

PubChem CID:

135065912

Reduced:

BBrI3N6H9C24 (1)

Stoich.:

ABC3D6E9F24 (1)

Weight, g/mol:

604.216097

ΔHf, kcal/mol:

181.99

Dipole, Da:

6.12

IP(EA), eV:

 -8.04(-2.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-chloro-6,15,25-tripropoxy-11,20,29,30,31-pentaza-2-azonia-1-boranuidanonacyclo[17.10.1.13,28.02,10.04,9.012,30.013,18.021,29.022,27]hentriaconta-2(10),3(31),4(9),5,7,11,13(18),14,16,19,21,23,25,27-tetradecaene

Drug info:

PubChemData

Smile

[B-]12(N3C4=C5C=CC=C(C5=C3N=C6N1C(=NC7=[N+]2C(=N4)C8=C7C=CC=C8I)C9=C6C=CC=C9I)I)Br

DOS

IR

Vibrations