Geometry & MOs

Info

ID:	437339
PubChem CID:	135225279
Reduced:	PS2O6C27H37 (2)
Stoich.:	AB2C6D27E37 (2)
Weight, g/mol:	295.267528
ΔH_f, kcal/mol:	-556.76
Dipole, Da:	3.04
IP(EA), eV:	-8.69(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(Z,4Z)-12-fluoro-4-propylidenedodec-5-enyl]pyrrolidine

Drug info:

PubChemData

Smile

CCOP(=O)(C)C1(C2CC(S1)(C=C2)CCCCCCCCCCC34CC(C=C3)C(S4)(P(=O)(C)OCC)SCC5=CC=C(C=C5)C(=O)OCCOC(=O)C(=C)C)SCC6=CC=C(C=C6)C(=O)OCCOC(=O)C

DOS

IR

Vibrations