Geometry & MOs

Info

ID:

378241

PubChem CID:

134224317

Reduced:

N4H24C33 (1)

Stoich.:

A4B24C33 (1)

Weight, g/mol:

1899.684021

ΔHf, kcal/mol:

184.65

Dipole, Da:

0.28

IP(EA), eV:

 -9.46(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[3-[5-(N-[3-[3,5-bis(N-naphthalen-1-ylanilino)benzoyl]-5-(N-naphthalen-1-ylanilino)phenyl]anilino)naphthalen-1-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]-5-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-[3,5-bis(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]methanone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2=CC(=NC(=N2)C3=NC(=CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations