Geometry & MOs

Info

ID:	191055
PubChem CID:	78099878
Reduced:	O6C19H36 (1)
Stoich.:	A6B19C36 (1)
Weight, g/mol:	234.110338
ΔH_f, kcal/mol:	-328.15
Dipole, Da:	6.44
IP(EA), eV:	-9.86(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,5-dihydroxy-6-methyloxan-2-yl)oxybutanoic acid

Drug info:

PubChemData

Smile

CC1C(CC(C(O1)OC(C)CCCCCCCCCCC(=O)O)O)O

DOS

IR

Vibrations