Geometry & MOs

Info

ID:

407967

PubChem CID:

135080722

Reduced:

H3N4F14C20 (2)

Stoich.:

A3B4C14D20 (2)

Weight, g/mol:

680.409827

ΔHf, kcal/mol:

-1146.82

Dipole, Da:

6.15

IP(EA), eV:

-9.19(-3.79)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

magnesium;4-N,4-N,5-N,5-N,9-N,9-N,10-N,10-N,14-N,14-N,15-N,15-N,19-N,19-N,20-N,20-N-hexadecamethyl-2,7,12,17,21,23-hexaza-22,24-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaene-4,5,9,10,14,15,19,20-octamine

Drug info:

PubChemData

Smile

C1=C2C(=C(C(=C1C(F)(F)F)C(F)(F)F)F)C3=NC4=NC(=NC5=NC(=NC6=C7C=C(C(=C(C7=C(N6)N=C2N3)F)C(F)(F)F)C(F)(F)F)C8=C(C(=C(C=C85)C(F)(F)F)C(F)(F)F)F)C9=C(C(=C(C=C94)C(F)(F)F)C(F)(F)F)F

DOS

IR

Vibrations