Geometry & MOs

Info

ID:	203801
PubChem CID:	79872782
Reduced:	NOSC9H17 (1)
Stoich.:	ABCD9E17 (1)
Weight, g/mol:	196.073559
ΔH_f, kcal/mol:	-75.5
Dipole, Da:	2.54
IP(EA), eV:	-9.38(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-but-3-enoxy-2-(hydroxymethyl)pyran-4-one

Drug info:

PubChemData

Smile

CC1(CCCC1NC(=O)CS)C

DOS

IR

Vibrations