Geometry & MOs

Info

ID:

436858

PubChem CID:

135212354

Reduced:

N2O5C23H26 (1)

Stoich.:

A2B5C23D26 (1)

Weight, g/mol:

614.221895

ΔHf, kcal/mol:

-166.92

Dipole, Da:

4.89

IP(EA), eV:

 -9.47(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-(4,6-diphenyl-1,3,5-triazin-2-yl)-16-phenyl-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8(13),9,11,15(23),17,19,21-undecaene

Drug info:

PubChemData

Smile

CC1=C(COC1=O)N2CC3(C2=O)CCC(CC3)NCCC4=CC5=C(C=C4)C(=O)OC5

DOS

IR

Vibrations