Geometry & MOs

Info

ID:	233518
PubChem CID:	91145206
Reduced:	SO4C12H18 (1)
Stoich.:	AB4C12D18 (1)
Weight, g/mol:	655.447483
ΔH_f, kcal/mol:	-179.5
Dipole, Da:	4.2
IP(EA), eV:	-9.57(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[(1-heptyl-5-methoxy-3,3-dimethylindol-1-ium-2-yl)methylidene]-4-[(1-heptyl-5-methoxy-3,3-dimethylindol-2-ylidene)methyl]-3-hydroxycyclobutan-1-one

Drug info:

PubChemData

Smile

CC1=C(C2CCCC(C2)CC1=O)OS(=O)(=O)C

DOS

IR

Vibrations