Geometry & MOs

Info

ID:

324711

PubChem CID:

126678189

Reduced:

ON4H30C50 (1)

Stoich.:

AB4C30D50 (1)

Weight, g/mol:

659.268511

ΔHf, kcal/mol:

230.26

Dipole, Da:

4.3

IP(EA), eV:

 -8.04(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-(4,6-diphenyl-1,3,5-triazinan-2-yl)-26-phenyl-10-oxa-15,26-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC3=CC=CC=C32)C4=CC=C(C=C4)N5C6=C(C7=C5C8=C(C=C7)OC9=CC=CC=C98)C1=C(C=C6)C2=CC=CC=C2N1C1=CC=CC=C1

DOS

IR

Vibrations