Geometry & MOs

Info

ID:	399022
PubChem CID:	135037087
Reduced:	SiO2C12H20 (1)
Stoich.:	AB2C12D20 (1)
Weight, g/mol:	182.167065
ΔH_f, kcal/mol:	-61.89
Dipole, Da:	2.58
IP(EA), eV:	-9.93(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,5R,6S)-5-ethyl-6-methylnon-7-en-4-one

Drug info:

PubChemData

Smile

CCCC1(C(O1)C(=O)C)C#C[Si](C)(C)C

DOS

IR

Vibrations