Geometry & MOs

Info

ID:

429430

PubChem CID:

135169479

Reduced:

OSN2C14H20 (1)

Stoich.:

ABC2D14E20 (1)

Weight, g/mol:

807.263425

ΔHf, kcal/mol:

-31.52

Dipole, Da:

2.18

IP(EA), eV:

 -8.01(0.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-[3-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-7-phenyl-8-oxa-6,11-diazapentacyclo[10.8.0.02,10.05,9.013,18]icosa-1(12),2(10),3,5(9),6,13,15,17,19-nonaene

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)NC(S2)NC3CCCCC3

DOS

IR

Vibrations