Geometry & MOs

Info

ID:	373031
PubChem CID:	131308816
Reduced:	SN2C13H16 (1)
Stoich.:	AB2C13D16 (1)
Weight, g/mol:	232.10342
ΔH_f, kcal/mol:	39.32
Dipole, Da:	3.76
IP(EA), eV:	-8.91(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(3,4-dimethylphenyl)-1,2-thiazol-5-yl]ethanamine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C2=NSC(=C2)CCN)C

DOS

IR

Vibrations