Geometry & MOs

Info

ID:	378348
PubChem CID:	134224426
Reduced:	ClIO2H8C9 (1)
Stoich.:	ABC2D8E9 (1)
Weight, g/mol:	196.096026
ΔH_f, kcal/mol:	-57.84
Dipole, Da:	3.55
IP(EA), eV:	-9.66(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-oxo-1H-pyrimidin-2-yl)-3-propan-2-ylurea

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)COC(=O)CI

DOS

IR

Vibrations