Geometry & MOs

Info

ID:	222179
PubChem CID:	85294992
Reduced:	NOSC9H13 (1)
Stoich.:	ABCD9E13 (1)
Weight, g/mol:	184.073559
ΔH_f, kcal/mol:	-16.45
Dipole, Da:	2.1
IP(EA), eV:	-9.24(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hydroxy-7-(hydroxymethyl)-4,4a,5,7a-tetrahydro-1H-cyclopenta[c]pyran-3-one

Drug info:

PubChemData

Smile

CC1=CSC(=N1)C(C)C(C=C)O

DOS

IR

Vibrations