Geometry & MOs

Info

ID:	197506
PubChem CID:	78972551
Reduced:	BrFON2C9H10 (1)
Stoich.:	ABCD2E9F10 (1)
Weight, g/mol:	281.171497
ΔH_f, kcal/mol:	-66.43
Dipole, Da:	2.56
IP(EA), eV:	-9.35(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(tert-butylamino)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=C(C=CC(=C1)Br)F)N

DOS

IR

Vibrations