Geometry & MOs

Info

ID:	268749
PubChem CID:	103600780
Reduced:	BrNOF5H5C9 (1)
Stoich.:	ABCD5E5F9 (1)
Weight, g/mol:	285.092498
ΔH_f, kcal/mol:	-272.2
Dipole, Da:	5.02
IP(EA), eV:	-9.7(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-difluoro-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1NC(=O)C(F)F)C(F)(F)F)Br

DOS

IR

Vibrations