Geometry & MOs

Info

ID:	384786
PubChem CID:	134977668
Reduced:	FeO3C13H14 (1)
Stoich.:	AB3C13D14 (1)
Weight, g/mol:	192.187801
ΔH_f, kcal/mol:	14.45
Dipole, Da:	3.11
IP(EA), eV:	-8.19(0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2,2-dimethyl-5-propylnon-5-en-3-yne

Drug info:

PubChemData

Smile

CC(=C)/C=C/C(C)(C)C#C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

DOS

IR

Vibrations