Geometry & MOs

Info

ID:	248716
PubChem CID:	103083873
Reduced:	BrSN2C15H19 (1)
Stoich.:	ABC2D15E19 (1)
Weight, g/mol:	338.04523
ΔH_f, kcal/mol:	31.04
Dipole, Da:	4.51
IP(EA), eV:	-8.97(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-bromo-2-methylphenyl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine

Drug info:

PubChemData

Smile

CCC1=C(SC(=N1)C2=C(C=C(C=C2)Br)C)CNCC

DOS

IR

Vibrations