Geometry & MOs

Info

ID:	448823
PubChem CID:	135293820
Reduced:	N2O2C19H30 (1)
Stoich.:	A2B2C19D30 (1)
Weight, g/mol:	742.417777
ΔH_f, kcal/mol:	-72.18
Dipole, Da:	1.68
IP(EA), eV:	-9.66(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(E)-12-cyclohexa-1,3-dien-5-yn-1-yl-12-[4-[2-(dimethylamino)ethoxy]phenyl]-11-phenyldodec-11-enyl]-triphenylphosphanium

Drug info:

PubChemData

Smile

CCCCCCC[C@@H](CC=C)NNC(=O)OCC1=CC=CC=C1

DOS

IR

Vibrations