Geometry & MOs

Info

ID:	220752
PubChem CID:	85238697
Reduced:	SH8C10 (1)
Stoich.:	AB8C10 (1)
Weight, g/mol:	161.068808
ΔH_f, kcal/mol:	107.43
Dipole, Da:	0.7
IP(EA), eV:	-9.12(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-5-yl]ethane-1,2-diol

Drug info:

PubChemData

Smile

C=CC=CC#CC1=CC=CS1

DOS

IR

Vibrations