Geometry & MOs

Info

ID:	277461
PubChem CID:	103828738
Reduced:	F2O2N5H9C10 (1)
Stoich.:	A2B2C5D9E10 (1)
Weight, g/mol:	270.081599
ΔH_f, kcal/mol:	-21.71
Dipole, Da:	5.87
IP(EA), eV:	-9.48(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,6-difluoro-4-nitrophenyl)-7-oxabicyclo[2.2.1]heptan-2-amine

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1F)NCCC2=NC=NN2)F)[N+](=O)[O-]

DOS

IR

Vibrations