Geometry & MOs

Info

ID:

163209

PubChem CID:

57654767

Reduced:

BO2H29C32 (1)

Stoich.:

AB2C29D32 (1)

Weight, g/mol:

918.560048

ΔHf, kcal/mol:

-67.9

Dipole, Da:

3.25

IP(EA), eV:

 -8.12(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 2

Chem-info

IUPAC name:

2'-[(E,3Z)-3-[3-[[5-[[(2Z)-1,3-dimethyl-2-[(E)-3-(1'-methylspiro[cyclohexane-1,3'-indol-1-ium]-2'-yl)prop-2-enylidene]indol-3-yl]methyl]naphthalen-1-yl]methyl]-1,3-dimethylindol-2-ylidene]prop-1-enyl]-1'-methylspiro[cyclohexane-1,3'-indol-1-ium]

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C3=C4C=CC=CC4=C(C5=CC=CC=C53)C6=CC=CC=C6

DOS

IR

Vibrations