Geometry & MOs

Info

ID:	209454
PubChem CID:	80675588
Reduced:	BrNOF3C9H15 (1)
Stoich.:	ABCD3E9F15 (1)
Weight, g/mol:	259.99828
ΔH_f, kcal/mol:	-213.26
Dipole, Da:	3.14
IP(EA), eV:	-9.11(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(bromomethyl)piperidin-1-yl]-1,3-thiazole

Drug info:

PubChemData

Smile

C1CN(CC1Br)CCCOCC(F)(F)F

DOS

IR

Vibrations