Geometry & MOs

Info

ID:	24774
PubChem CID:	613322
Reduced:	Cl2N2O2C11H14 (1)
Stoich.:	A2B2C2D11E14 (1)
Weight, g/mol:	276.043233
ΔH_f, kcal/mol:	-95.21
Dipole, Da:	3.49
IP(EA), eV:	-9.55(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-tert-butyl-1-(2,2-dichloroethenyl)-6-methylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=O)N(C(=O)N1C=C(Cl)Cl)C(C)(C)C

DOS

IR

Vibrations