Geometry & MOs

Info

ID:	182839
PubChem CID:	76943635
Reduced:	NO2C15H17 (1)
Stoich.:	AB2C15D17 (1)
Weight, g/mol:	260.046693
ΔH_f, kcal/mol:	-15.65
Dipole, Da:	1.03
IP(EA), eV:	-8.91(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-methyl-2-(methylsulfonylmethyl)-6-oxo-5H-pyrimidin-5-yl]acetic acid

Drug info:

PubChemData

Smile

CC=CC1=CC=CC=C1OCC2=C(OC=C2)CN

DOS

IR

Vibrations