Geometry & MOs

Info

ID:	406679
PubChem CID:	135078329
Reduced:	O6C13H16 (1)
Stoich.:	A6B13C16 (1)
Weight, g/mol:	419.91677
ΔH_f, kcal/mol:	-204.02
Dipole, Da:	2.85
IP(EA), eV:	-10.55(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC12C=CC(O1)(C(=C2C(=O)OC)C(=O)OC)C([13CH3])O

DOS

IR

Vibrations