Geometry & MOs

Info

ID:	6992
PubChem CID:	70917
Reduced:	O2C11H18 (1)
Stoich.:	A2B11C18 (1)
Weight, g/mol:	182.13068
ΔH_f, kcal/mol:	-98.32
Dipole, Da:	2.73
IP(EA), eV:	-9.19(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3,7-dimethylocta-2,6-dienoate

Drug info:

PubChemData

Smile

CC(=CCCC(=CC(=O)OC)C)C

DOS

IR

Vibrations