Geometry & MOs

Info

ID:

442450

PubChem CID:

135252143

Reduced:

N3H29C45 (1)

Stoich.:

A3B29C45 (1)

Weight, g/mol:

612.231397

ΔHf, kcal/mol:

219.25

Dipole, Da:

3.84

IP(EA), eV:

 -8.06(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-phenyl-6-[8-(9-phenylcarbazol-1-yl)naphthalen-1-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C4=C2C=CC(=C4)C5=CC=CC6=C5C(=CC=C6)C7=CC8=C(C=C7)N(C9=CC=CC=C98)C1=CC=CC=C1)N=CC=C3

DOS

IR

Vibrations