Geometry & MOs

Info

ID:	412786
PubChem CID:	135085715
Reduced:	OC13H14 (1)
Stoich.:	AB13C14 (1)
Weight, g/mol:	216.136159
ΔH_f, kcal/mol:	39.22
Dipole, Da:	1.62
IP(EA), eV:	-8.52(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl] butanoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C#CCCC=C

DOS

IR

Vibrations