Geometry & MOs

Info

ID:	386461
PubChem CID:	134981820
Reduced:	O2C13H22 (1)
Stoich.:	A2B13C22 (1)
Weight, g/mol:	316.01331
ΔH_f, kcal/mol:	-94.65
Dipole, Da:	1.34
IP(EA), eV:	-9.6(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCCC/C=C\[C@H]1C[C@H]1COC(=O)CC

DOS

IR

Vibrations