Geometry & MOs

Info

ID:

312443

PubChem CID:

126605103

Reduced:

N2H38C57 (1)

Stoich.:

A2B38C57 (1)

Weight, g/mol:

580.287849

ΔHf, kcal/mol:

247.03

Dipole, Da:

2.8

IP(EA), eV:

 -7.77(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(Z)-2-[5-[9,10-di(cyclohexa-2,4-dien-1-yl)anthracen-2-yl]-3-methyl-1-phenylindol-2-yl]ethenamine

Drug info:

PubChemData

Smile

C1C2=C(C=CN1)N(C3=C2C=C(C=C3)C4=CC5=C(C=C4)C=C(C=C5)C6=C7C=CC=CC7=C(C8=CC=CC=C86)C9=CC=C(C=C9)C1=CC2=CC=CC=C2C=C1)C1=CC=CC=C1

DOS

IR

Vibrations