Geometry & MOs

Info

ID:	66235
PubChem CID:	46500473
Reduced:	BrNF3O3H15C19 (1)
Stoich.:	ABC3D3E15F19 (1)
Weight, g/mol:	336.196154
ΔH_f, kcal/mol:	-197.18
Dipole, Da:	7.84
IP(EA), eV:	-9.14(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-4-(2-fluoro-4-nitro-5-piperidin-1-ylphenyl)piperazine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OCCN2C=C(C3=C2C=CC(=C3)Br)C(=O)C(F)(F)F

DOS

IR

Vibrations