Geometry & MOs

Info

ID:

438180

PubChem CID:

135227809

Reduced:

N2F3H7C11 (1)

Stoich.:

A2B3C7D11 (1)

Weight, g/mol:

1035.379792

ΔHf, kcal/mol:

-74.98

Dipole, Da:

2.73

IP(EA), eV:

 -8.93(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9,18-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-27-phenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaene

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)NC2=C(C=C(C=C2)F)F)F

DOS

IR

Vibrations