Geometry & MOs

Info

ID:	295820
PubChem CID:	117544961
Reduced:	ClSN2C12H13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	260.13472
ΔH_f, kcal/mol:	35.06
Dipole, Da:	1.33
IP(EA), eV:	-9.22(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-[4-methyl-5-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methanamine

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)CNC)C2=CC(=CC=C2)Cl

DOS

IR

Vibrations