Geometry & MOs

Info

ID:	228489
PubChem CID:	87564847
Reduced:	OC20H20 (2)
Stoich.:	AB20C20 (2)
Weight, g/mol:	269.147452
ΔH_f, kcal/mol:	18.01
Dipole, Da:	2.78
IP(EA), eV:	-7.65(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;2-methylpropanamide

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)C2=C3C(=C(C4=CC=CC=C42)C5=CC=C(C=C5)CCCC)C(=C6C=CC=CC6=C3OC)OC

DOS

IR

Vibrations