Geometry & MOs

Info

ID:	44113
PubChem CID:	10500737
Reduced:	O5C23H36 (1)
Stoich.:	A5B23C36 (1)
Weight, g/mol:	392.001491
ΔH_f, kcal/mol:	-238.59
Dipole, Da:	4.81
IP(EA), eV:	-10.0(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCCCCCCC(=O)O[C@@H]1C=C([C@@]([C@@]2([C@@H]1C(CCC2)(C)C)C)(C=O)O)C=O

DOS

IR

Vibrations