Geometry & MOs

Info

ID:	295824
PubChem CID:	117544967
Reduced:	BrSN2C12H13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	295.99828
ΔH_f, kcal/mol:	47.07
Dipole, Da:	1.33
IP(EA), eV:	-9.23(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(2-bromophenyl)-4-methyl-1,3-thiazol-2-yl]-N-methylmethanamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations