Geometry & MOs

Info

ID:	11539
PubChem CID:	117386
Reduced:	O5C8H16 (1)
Stoich.:	A5B8C16 (1)
Weight, g/mol:	192.099774
ΔH_f, kcal/mol:	-225.23
Dipole, Da:	2.72
IP(EA), eV:	-9.67(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4,5-trihydroxy-2-methoxy-3-methylhexanal

Drug info:

PubChemData

Smile

CC(C(C(C)(C(C=O)OC)O)O)O

DOS

IR

Vibrations