Geometry & MOs

Info

ID:

429372

PubChem CID:

135169395

Reduced:

NC19H35 (1)

Stoich.:

AB19C35 (1)

Weight, g/mol:

807.263425

ΔHf, kcal/mol:

-47.22

Dipole, Da:

1.38

IP(EA), eV:

-8.34(2.89)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

11-[3-[3-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-7-phenyl-8-oxa-6,11-diazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),6,13,15,17,19-nonaene

Drug info:

PubChemData

Smile

CC(C)N1CCCCC1C2CCCC(CC2)C3CCC3

DOS

IR

Vibrations