Geometry & MOs

Info

ID:	11220
PubChem CID:	112051
Reduced:	O2C17H24 (1)
Stoich.:	A2B17C24 (1)
Weight, g/mol:	260.17763
ΔH_f, kcal/mol:	-85.49
Dipole, Da:	1.68
IP(EA), eV:	-9.53(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,7-dimethyloct-7-enyl benzoate

Drug info:

PubChemData

Smile

CC(CCCC(=C)C)CCOC(=O)C1=CC=CC=C1

DOS

IR

Vibrations