Geometry & MOs

Info

ID:	413350
PubChem CID:	135086298
Reduced:	FeC14H16 (1)
Stoich.:	AB14C16 (1)
Weight, g/mol:	250.084993
ΔH_f, kcal/mol:	160.96
Dipole, Da:	5.76
IP(EA), eV:	-7.76(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-4-phenylbut-1-enyl]-1,3-dithiane

Drug info:

PubChemData

Smile

[CH3-].[CH3-].C#CC1=CC=C[CH-]1.[CH-]1C=CC=C1.[Fe+4]

DOS

IR

Vibrations