Geometry & MOs

Info

ID:	268700
PubChem CID:	103600514
Reduced:	OF2N3C10H15 (1)
Stoich.:	AB2C3D10E15 (1)
Weight, g/mol:	285.092498
ΔH_f, kcal/mol:	-125.59
Dipole, Da:	3.07
IP(EA), eV:	-9.21(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NN1CCCNC(=O)C(F)F)C

DOS

IR

Vibrations