Geometry & MOs

Info

ID:

378135

PubChem CID:

134224209

Reduced:

N4H38C53 (1)

Stoich.:

A4B38C53 (1)

Weight, g/mol:

652.262697

ΔHf, kcal/mol:

260.74

Dipole, Da:

1.4

IP(EA), eV:

 -7.79(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(7Z,9Z)-12'-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-methylidenespiro[11H-benzo[9]annulene-5,7'-indeno[1,2-a]carbazole]

Drug info:

PubChemData

Smile

CC1CC=C2C(=C1)N(C3=CC4=C(C=C23)C(C5=C4C=CC(=C5)C6=NC(=NC(=N6)C7=CC=CC=C7)C8=CC=CC=C8)(C9=CC=CC=C9)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations