Geometry & MOs

Info

ID:	383117
PubChem CID:	134974666
Reduced:	O5C19H30 (1)
Stoich.:	A5B19C30 (1)
Weight, g/mol:	327.1293
ΔH_f, kcal/mol:	-227.19
Dipole, Da:	6.43
IP(EA), eV:	-9.67(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations