Geometry & MOs

Info

ID:	10529
PubChem CID:	103831
Reduced:	OC6H9 (2)
Stoich.:	AB6C9 (2)
Weight, g/mol:	194.13068
ΔH_f, kcal/mol:	-74.56
Dipole, Da:	2.11
IP(EA), eV:	-9.46(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,7-dimethylocta-1,5,7-trien-3-yl acetate

Drug info:

PubChemData

Smile

CC(=C)C=CCC(C)(C=C)OC(=O)C

DOS

IR

Vibrations