Geometry & MOs

Info

ID:

426451

PubChem CID:

135144199

Reduced:

OPN3H38C54 (1)

Stoich.:

ABC3D38E54 (1)

Weight, g/mol:

563.224915

ΔHf, kcal/mol:

237.09

Dipole, Da:

4.54

IP(EA), eV:

 -7.9(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(7Z)-6-methyl-3'-naphthalen-1-yl-7-prop-2-enylidenespiro[indolo[1,2-a]quinoline-5,9'-xanthene]

Drug info:

PubChemData

Smile

CC1=C(C2(C3=C(P1(=O)C4=CC=CC=C4)C=C(C=C3)C5=NC(=CC(=N5)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8N9C1=CC=CC=C1C1=C9C2=CC=C1)/C=C\C=C

DOS

IR

Vibrations