Geometry & MOs

Info

ID:	327451
PubChem CID:	126689941
Reduced:	O3C15H20 (1)
Stoich.:	A3B15C20 (1)
Weight, g/mol:	231.94975
ΔH_f, kcal/mol:	-48.87
Dipole, Da:	2.03
IP(EA), eV:	-8.98(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCCCC1C=C2C(=CC1COCC#C)OCO2

DOS

IR

Vibrations