Geometry & MOs

Info

ID:	445291
PubChem CID:	135265893
Reduced:	BrF6H9C14 (1)
Stoich.:	AB6C9D14 (1)
Weight, g/mol:	238.113984
ΔH_f, kcal/mol:	-273.05
Dipole, Da:	1.92
IP(EA), eV:	-9.36(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[5-(ethenylamino)pentan-2-yl]-1,3-thiazol-2-yl]ethanone

Drug info:

PubChemData

Smile

CC(C1=CC=C(C2=CC=CC=C21)Br)(C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations