Geometry & MOs

Info

ID:	269319
PubChem CID:	103616983
Reduced:	OSN2F3H11C12 (1)
Stoich.:	ABC2D3E11F12 (1)
Weight, g/mol:	218.08777
ΔH_f, kcal/mol:	-152.26
Dipole, Da:	5.16
IP(EA), eV:	-9.49(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methyl-1,3-thiazol-5-yl)-2-phenylethanamine

Drug info:

PubChemData

Smile

CC1=NC=C(S1)C(C2=CC=CC=C2OC(F)(F)F)N

DOS

IR

Vibrations