Geometry & MOs

Info

ID:	386803
PubChem CID:	134982981
Reduced:	C5H9 (4)
Stoich.:	A5B9 (4)
Weight, g/mol:	227.115758
ΔH_f, kcal/mol:	-54.94
Dipole, Da:	0.39
IP(EA), eV:	-8.7(1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3Z,5E)-7-[methoxy(methyl)amino]-7-oxohepta-3,5-dienyl] acetate

Drug info:

PubChemData

Smile

C1CCCCC(=C2CCCCCCCCC2)CCCC1

DOS

IR

Vibrations