Geometry & MOs

Info

ID:	46357
PubChem CID:	10524040
Reduced:	NPO3C21H38 (1)
Stoich.:	ABC3D21E38 (1)
Weight, g/mol:	222.062698
ΔH_f, kcal/mol:	-213.45
Dipole, Da:	1.23
IP(EA), eV:	-8.65(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCCCCC(NCC1=CC=CC=C1)P(=O)(OCC)OCC

DOS

IR

Vibrations