Geometry & MOs

Info

ID:

324635

PubChem CID:

126678026

Reduced:

ON4H30C50 (1)

Stoich.:

AB4C30D50 (1)

Weight, g/mol:

735.299811

ΔHf, kcal/mol:

236.63

Dipole, Da:

3.8

IP(EA), eV:

 -8.07(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-25-phenyl-10-oxa-15,25-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC3=CC=CC=C32)C4=CC=C(C=C4)N5C6=C(C=CC7=C6C8=CC=CC=C8N7C9=CC=CC=C9)C1=C5C2=C(C=C1)OC1=CC=CC=C12

DOS

IR

Vibrations