Geometry & MOs

Info

ID:	327752
PubChem CID:	126690970
Reduced:	O3F6C16H19 (2)
Stoich.:	A3B6C16D19 (2)
Weight, g/mol:	317.199094
ΔH_f, kcal/mol:	-888.05
Dipole, Da:	2.05
IP(EA), eV:	-9.33(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(2E,4E)-5-(2,5-dimethoxyphenyl)penta-2,4-dienoxy]methyl]piperidine

Drug info:

PubChemData

Smile

C=COCC1CC2CC1CC2CC(C(F)(F)F)(C(F)(F)F)OC(=O)CCC(=C)C(=O)OC3CCC4C3CCC(C4)C(C(F)(F)F)(C(F)(F)F)O

DOS

IR

Vibrations