Geometry & MOs

Info

ID:

438135

PubChem CID:

135227758

Reduced:

F2N3C7H9 (1)

Stoich.:

A2B3C7D9 (1)

Weight, g/mol:

804.300145

ΔHf, kcal/mol:

-51.56

Dipole, Da:

3.23

IP(EA), eV:

 -11.34(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=NC(=N1)F)F

DOS

IR

Vibrations