Geometry & MOs

Info

ID:	373030
PubChem CID:	131308813
Reduced:	FNO2C12H14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	232.10342
ΔH_f, kcal/mol:	-88.08
Dipole, Da:	4.21
IP(EA), eV:	-8.68(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(3,5-dimethylphenyl)-1,2-thiazol-5-yl]ethanamine

Drug info:

PubChemData

Smile

C1COC2=C(C=C(C=C2O1)CF)C=CCN

DOS

IR

Vibrations