Geometry & MOs

Info

ID:	12745
PubChem CID:	144863
Reduced:	O3C5H6 (1)
Stoich.:	A3B5C6 (1)
Weight, g/mol:	114.031694
ΔH_f, kcal/mol:	-105.16
Dipole, Da:	4.27
IP(EA), eV:	-10.95(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(hydroxymethyl)-2H-furan-5-one

Drug info:

PubChemData

Smile

C1=CC(=O)OC1CO

DOS

IR

Vibrations