Geometry & MOs

Info

ID:	143465
PubChem CID:	53212948
Reduced:	ClSC8H11 (1)
Stoich.:	ABC8D11 (1)
Weight, g/mol:	255.100777
ΔH_f, kcal/mol:	-8.71
Dipole, Da:	2.33
IP(EA), eV:	-8.9(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-propan-2-ylphenyl)-2H-[1,2]oxazolo[5,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCC1=C(SC=C1CCl)C

DOS

IR

Vibrations