Geometry & MOs

Info

ID:	56953
PubChem CID:	22395034
Reduced:	O3C13H18 (1)
Stoich.:	A3B13C18 (1)
Weight, g/mol:	214.156895
ΔH_f, kcal/mol:	-127.1
Dipole, Da:	2.5
IP(EA), eV:	-9.42(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl 3-(2,2-dimethylpropoxy)butanoate

Drug info:

PubChemData

Smile

CCOC(CC(=O)OC)C1=CC=CC=C1C

DOS

IR

Vibrations