Geometry & MOs

Info

ID:	15071
PubChem CID:	428776
Reduced:	O11C17H30 (1)
Stoich.:	A11B17C30 (1)
Weight, g/mol:	410.178812
ΔH_f, kcal/mol:	-513.32
Dipole, Da:	7.85
IP(EA), eV:	-9.6(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hexane-1,2,3,4,5,6-hexol;4-methoxybenzoic acid;propane-2,2-diol

Drug info:

PubChemData

Smile

CC(C)(O)O.COC1=CC=C(C=C1)C(=O)O.C(C(C(C(C(CO)O)O)O)O)O

DOS

IR

Vibrations