Geometry & MOs

Info

ID:	7539
PubChem CID:	73265
Reduced:	NOC4H6 (2)
Stoich.:	ABC4D6 (2)
Weight, g/mol:	168.089878
ΔH_f, kcal/mol:	-91.87
Dipole, Da:	3.49
IP(EA), eV:	-10.12(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butyl-1H-pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CCCCN1C(=O)C=CNC1=O

DOS

IR

Vibrations