Geometry & MOs

Info

ID:	159548
PubChem CID:	57288441
Reduced:	ON3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	166.02998
ΔH_f, kcal/mol:	14.33
Dipole, Da:	6.32
IP(EA), eV:	-9.55(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxypent-4-ene-1-sulfonic acid

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1C#N)OCC2CCCN2

DOS

IR

Vibrations