Geometry & MOs

Info

ID:

446403

PubChem CID:

135274716

Reduced:

N3H35C48 (1)

Stoich.:

A3B35C48 (1)

Weight, g/mol:

566.221895

ΔHf, kcal/mol:

185.36

Dipole, Da:

4.1

IP(EA), eV:

 -8.05(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-11,21,23-triazahexacyclo[14.7.1.02,14.04,12.05,10.020,24]tetracosa-1(23),2(14),3,5,7,9,12,16(24),17,19,21-undecaene

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)C4=NC(=NC5=CC=CC=C54)N6C7=CC=CC=C7C8=CC9=C(C=C86)C(C1=CC=CC2=C1C9=CC=C2)(C)C)C

DOS

IR

Vibrations