Geometry & MOs

Info

ID:	14182
PubChem CID:	406208
Reduced:	N2O3C12H12 (1)
Stoich.:	A2B3C12D12 (1)
Weight, g/mol:	232.084792
ΔH_f, kcal/mol:	-99.71
Dipole, Da:	6.08
IP(EA), eV:	-9.83(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[2-(hydroxymethyl)phenyl]methyl]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C=CC(=O)NC2=O)CO

DOS

IR

Vibrations