Geometry & MOs

Info

ID:

163219

PubChem CID:

57654903

Reduced:

N2H40C41 (2)

Stoich.:

A2B40C41 (2)

Weight, g/mol:

1214.09743

ΔHf, kcal/mol:

292.54

Dipole, Da:

32.79

IP(EA), eV:

 -4.61(-2.35)

Spin(Sz, S2):

 None, None

Charge, e:

 2

Chem-info

IUPAC name:

2-[(E,3E)-3-(1-benzyl-8-bromo-1,3-dimethylbenzo[e]indol-2-ylidene)prop-1-enyl]-3-[[2-[(E,3E)-3-(1-benzyl-8-bromo-1,3-dimethylbenzo[e]indol-2-ylidene)prop-1-enyl]-1,3-benzoselenazol-3-ium-3-yl]methoxymethyl]-1,3-benzoselenazol-3-ium

Drug info:

PubChemData

Smile

CC1(/C(=C\C=C\C2=[N+](C3=CC=CC=C3C24CCCCC4)C)/N(C5=C1C=CC6=CC=CC=C56)CC7=CC=C(C=C7)CN\8C9=C(C(/C8=C\C=C\C1=[N+](C2=CC=CC=C2C11CCCCC1)C)(CC1=CC=CC=C1)C)C=CC1=CC=CC=C91)CC1=CC=CC=C1

DOS

IR

Vibrations