Geometry & MOs

Info

ID:	385377
PubChem CID:	134978907
Reduced:	O2C11H22 (1)
Stoich.:	A2B11C22 (1)
Weight, g/mol:	198.16198
ΔH_f, kcal/mol:	-118.67
Dipole, Da:	3.83
IP(EA), eV:	-8.78(1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4S,5S)-5,6,6-trimethylhept-1-en-4-yl] acetate

Drug info:

PubChemData

Smile

CCCCC(C/C=C/OC(C)C)O

DOS

IR

Vibrations