Geometry & MOs

Info

ID:	150825
PubChem CID:	53790521
Reduced:	C9H14 (2)
Stoich.:	A9B14 (2)
Weight, g/mol:	234.046299
ΔH_f, kcal/mol:	-34.71
Dipole, Da:	0.53
IP(EA), eV:	-8.99(1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-3-[(4-methylphenyl)methylideneamino]-1,3-thiazol-2-one

Drug info:

PubChemData

Smile

C[C@@]12CCC[C@H]1[C@@H]3CCC4=CCCC[C@H]4[C@H]3CC2

DOS

IR

Vibrations