Geometry & MOs

Info

ID:	411464
PubChem CID:	135084295
Reduced:	O2C13H22 (1)
Stoich.:	A2B13C22 (1)
Weight, g/mol:	174.104465
ΔH_f, kcal/mol:	-94.91
Dipole, Da:	1.56
IP(EA), eV:	-9.57(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCCCCCC(=C=C)CC(=O)OCC

DOS

IR

Vibrations