Geometry & MOs

Info

ID:	375483
PubChem CID:	131529870
Reduced:	OSN2C12H14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	234.082684
ΔH_f, kcal/mol:	4.57
Dipole, Da:	2.06
IP(EA), eV:	-9.33(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(3,4-dimethylphenoxy)-1,2-thiazol-3-yl]methanamine

Drug info:

PubChemData

Smile

CC(C)N1C(=CN=C1C2=CC=CS2)C(=O)C

DOS

IR

Vibrations