Geometry & MOs

Info

ID:	411232
PubChem CID:	135084045
Reduced:	O2C13H22 (1)
Stoich.:	A2B13C22 (1)
Weight, g/mol:	205.141252
ΔH_f, kcal/mol:	-105.3
Dipole, Da:	2.43
IP(EA), eV:	-9.19(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCCCC[C@@H](/C=C/C=C/C)OC(=O)C

DOS

IR

Vibrations