Geometry & MOs

Info

ID:	206883
PubChem CID:	80319405
Reduced:	BrNSC13H20 (1)
Stoich.:	ABCD13E20 (1)
Weight, g/mol:	315.06563
ΔH_f, kcal/mol:	-9.55
Dipole, Da:	1.54
IP(EA), eV:	-9.48(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-bromo-5-propylcyclohexyl)methyl]-4-methyl-1,3-thiazole

Drug info:

PubChemData

Smile

CCCC1CCC(C(C1)CC2=NC=CS2)Br

DOS

IR

Vibrations