Geometry & MOs

Info

ID:	270133
PubChem CID:	103629627
Reduced:	FION2C11H12 (1)
Stoich.:	ABCD2E11F12 (1)
Weight, g/mol:	273.97755
ΔH_f, kcal/mol:	-40.69
Dipole, Da:	3.98
IP(EA), eV:	-9.28(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromothiophen-3-yl)-piperazin-1-ylmethanone

Drug info:

PubChemData

Smile

C1CN(CCN1)C(=O)C2=C(C=C(C=C2)F)I

DOS

IR

Vibrations