Geometry & MOs

Info

ID:	272940
PubChem CID:	103768432
Reduced:	ON4C11H18 (1)
Stoich.:	AB4C11D18 (1)
Weight, g/mol:	268.122321
ΔH_f, kcal/mol:	-16.33
Dipole, Da:	2.21
IP(EA), eV:	-8.63(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-2-nitro-N-[1-(oxan-4-yl)ethyl]aniline

Drug info:

PubChemData

Smile

CC(C1CCOCC1)NC2=NC=CN=C2N

DOS

IR

Vibrations