Geometry & MOs

Info

ID:	65955
PubChem CID:	46484728
Reduced:	BrN2F3O3H14C19 (1)
Stoich.:	AB2C3D3E14F19 (1)
Weight, g/mol:	322.060114
ΔH_f, kcal/mol:	-223.41
Dipole, Da:	2.68
IP(EA), eV:	-10.12(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-4-nitro-1-[2-(3-nitrophenoxy)ethoxy]benzene

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(=O)N1)CC(=O)C2=CC=C(C=C2)Br)C3=CC(=CC=C3)C(F)(F)F

DOS

IR

Vibrations