Geometry & MOs

Info

ID:	220740
PubChem CID:	85230830
Reduced:	O3C5H6 (2)
Stoich.:	A3B5C6 (2)
Weight, g/mol:	228.074621
ΔH_f, kcal/mol:	-242.72
Dipole, Da:	5.11
IP(EA), eV:	-10.28(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazin-2-one

Drug info:

PubChemData

Smile

CC(=O)OC1C=CC(=O)C(C1OC(=O)C)O

DOS

IR

Vibrations