Geometry & MOs

Info

ID:	216622
PubChem CID:	85086512
Reduced:	O5C15H26 (1)
Stoich.:	A5B15C26 (1)
Weight, g/mol:	286.178024
ΔH_f, kcal/mol:	-253.67
Dipole, Da:	4.85
IP(EA), eV:	-9.94(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-(2,2-dimethylpropanoyloxy)-5-hydroxy-2,4-dimethylhex-2-enoate

Drug info:

PubChemData

Smile

CC(CC1C(OC2C1OC(O2)(C)C)CCC=CCO)O

DOS

IR

Vibrations