Geometry & MOs

Info

ID:	295305
PubChem CID:	117525895
Reduced:	NO3C13H15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	231.071785
ΔH_f, kcal/mol:	-60.17
Dipole, Da:	3.78
IP(EA), eV:	-8.69(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-methylphenyl)ethyl]-1,3-thiazole-4-carbaldehyde

Drug info:

PubChemData

Smile

CCOC1=CN=C(O1)COC2=CC=CC=C2C

DOS

IR

Vibrations