Geometry & MOs

Info

ID:	337991
PubChem CID:	127258614
Reduced:	O2C11H18 (1)
Stoich.:	A2B11C18 (1)
Weight, g/mol:	240.20893
ΔH_f, kcal/mol:	-112.15
Dipole, Da:	2.0
IP(EA), eV:	-9.51(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,7-trimethyloct-6-enyl butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OC1CCCC=C1C

DOS

IR

Vibrations