Geometry & MOs

Info

ID:	413153
PubChem CID:	135086098
Reduced:	O4C15H16 (1)
Stoich.:	A4B15C16 (1)
Weight, g/mol:	236.214016
ΔH_f, kcal/mol:	-94.81
Dipole, Da:	2.62
IP(EA), eV:	-9.48(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

COC(=O)CC(=O)C#CCCOCC1=CC=CC=C1

DOS

IR

Vibrations