Geometry & MOs

Info

ID:	411373
PubChem CID:	135084196
Reduced:	O2C5H9 (2)
Stoich.:	A2B5C9 (2)
Weight, g/mol:	196.14633
ΔH_f, kcal/mol:	-172.23
Dipole, Da:	4.44
IP(EA), eV:	-10.4(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-methyl-9-[(2R)-oxiran-2-yl]non-8-en-4-one

Drug info:

PubChemData

Smile

COC(=O)CCC1C(O1)CCCCO

DOS

IR

Vibrations