Geometry & MOs

Info

ID:

311847

PubChem CID:

126598353

Reduced:

Cl2N6C15H16 (1)

Stoich.:

A2B6C15D16 (1)

Weight, g/mol:

811.461397

ΔHf, kcal/mol:

67.35

Dipole, Da:

5.07

IP(EA), eV:

 -8.7(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7,8,8,9,9,20,20,21,21,22,22-dodecamethyl-26-phenyl-3,26-diazaheptacyclo[14.10.0.02,13.04,12.06,10.017,25.019,23]hexacosa-1(16),2(13),4,6(10),11,14,17,19(23),24-nonaene

Drug info:

PubChemData

Smile

CC(C)NC1=NC=C2C(=N1)N(C(=N2)NC3=C(C=C(C=C3)Cl)Cl)C

DOS

IR

Vibrations