Geometry & MOs

Info

ID:	259271
PubChem CID:	103162370
Reduced:	NSO3C15H21 (1)
Stoich.:	ABC3D15E21 (1)
Weight, g/mol:	236.116092
ΔH_f, kcal/mol:	-110.81
Dipole, Da:	4.08
IP(EA), eV:	-9.18(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-cyclobutylacetyl)-1,3-dimethylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CCCS(=O)(=O)NC1=CC=C(C=C1)C(=O)CC2CCC2

DOS

IR

Vibrations