Geometry & MOs

Info

ID:	342659
PubChem CID:	127265819
Reduced:	SN2O4C15H20 (1)
Stoich.:	AB2C4D15E20 (1)
Weight, g/mol:	282.97788
ΔH_f, kcal/mol:	-54.72
Dipole, Da:	7.43
IP(EA), eV:	-9.29(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CCS1(=O)=O)CC=CC2=CC=CC=C2[N+](=O)[O-]

DOS

IR

Vibrations