Geometry & MOs

Info

ID:	387977
PubChem CID:	134987624
Reduced:	PSO3C8H17 (1)
Stoich.:	ABC3D8E17 (1)
Weight, g/mol:	206.167065
ΔH_f, kcal/mol:	-186.16
Dipole, Da:	3.57
IP(EA), eV:	-8.62(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-1-cyclopropyl-4,8-dimethylnona-3,7-dien-1-one

Drug info:

PubChemData

Smile

CCOP(=O)(C(=C)SCC)OCC

DOS

IR

Vibrations