Geometry & MOs

Info

ID:

426444

PubChem CID:

135144187

Reduced:

OSN2H60C92 (1)

Stoich.:

ABC2D60E92 (1)

Weight, g/mol:

676.262697

ΔHf, kcal/mol:

321.77

Dipole, Da:

3.25

IP(EA), eV:

 -8.03(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-naphthalen-1-ylcarbazole

Drug info:

PubChemData

Smile

CC1(C2=C(C=C(C=C2)C3=CC4=C(C=C3)SC5=CC=CC=C54)C6(C7=CC=CC=C71)C8=CC=CC=C8N9C1=C(C=C(C=C1)CC1(C2=C(C=C(C=C2)C2=CC3=C(C=C2)OC2=CC=CC=C23)C2(C3=CC=CC=C31)C1=CC=CC=C1N1C3=CC=CC=C3C3=C1C2=CC=C3)C)C1=C9C6=CC=C1)C

DOS

IR

Vibrations