Geometry & MOs

Info

ID:	383103
PubChem CID:	134974645
Reduced:	O2C8H13 (2)
Stoich.:	A2B8C13 (2)
Weight, g/mol:	378.098632
ΔH_f, kcal/mol:	-175.97
Dipole, Da:	4.54
IP(EA), eV:	-9.71(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C[C@@H]1C=CC(=O)O[C@@H]1/C(=C/[C@H](C)[C@H]([C@@H](C)CO)OC)/C

DOS

IR

Vibrations