Geometry & MOs

Info

ID:	320694
PubChem CID:	126662555
Reduced:	OC9H12 (2)
Stoich.:	AB9C12 (2)
Weight, g/mol:	310.178024
ΔH_f, kcal/mol:	-43.32
Dipole, Da:	2.18
IP(EA), eV:	-8.46(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2,2-dihydroxy-6-phenylmethoxyhexanoate

Drug info:

PubChemData

Smile

CCCCCCC1=CC2=C(C(=C1)COCC#C)OCC2

DOS

IR

Vibrations