Geometry & MOs

Info

ID:	342660
PubChem CID:	127265820
Reduced:	BrSN3C10H10 (1)
Stoich.:	ABC3D10E10 (1)
Weight, g/mol:	268.96223
ΔH_f, kcal/mol:	93.65
Dipole, Da:	2.12
IP(EA), eV:	-9.24(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-[2-(1-methylpyrazol-4-yl)ethenyl]-1,3-thiazole

Drug info:

PubChemData

Smile

CCN1C(=CC=N1)C=CC2=NC=C(S2)Br

DOS

IR

Vibrations