Geometry & MOs

Info

ID:

441264

PubChem CID:

135233855

Reduced:

NSH31C45 (1)

Stoich.:

ABC31D45 (1)

Weight, g/mol:

709.272927

ΔHf, kcal/mol:

167.84

Dipole, Da:

3.2

IP(EA), eV:

 -8.07(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[8-[4-[[2-[(Z)-but-1-enyl]phenyl]methyl]phenyl]dibenzofuran-1-yl]-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N4C5=C(C=C(C=C5)C6=CC=CC=C6)C7=C4C=CC(=C7)C8=CC9=C(C=C8)SC1=CC=CC=C19)C

DOS

IR

Vibrations