Geometry & MOs

Info

ID:	411457
PubChem CID:	135084288
Reduced:	O3C13H18 (1)
Stoich.:	A3B13C18 (1)
Weight, g/mol:	210.125594
ΔH_f, kcal/mol:	-73.52
Dipole, Da:	4.52
IP(EA), eV:	-8.85(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(C)(C)/C(=C/C=C\C(=O)OC)/C#COC

DOS

IR

Vibrations