Geometry & MOs

Info

ID:	220993
PubChem CID:	85248150
Reduced:	O5C13H20 (1)
Stoich.:	A5B13C20 (1)
Weight, g/mol:	256.167459
ΔH_f, kcal/mol:	-228.75
Dipole, Da:	3.85
IP(EA), eV:	-10.09(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2,4-dimethyl-5-(oxan-2-yloxy)pent-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)C1(CCC=CC1CCC(=O)O)CO

DOS

IR

Vibrations