Geometry & MOs

Info

ID:	277415
PubChem CID:	103828395
Reduced:	F2N2O3C13H18 (1)
Stoich.:	A2B2C3D13E18 (1)
Weight, g/mol:	286.112899
ΔH_f, kcal/mol:	-136.08
Dipole, Da:	8.94
IP(EA), eV:	-9.11(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(2,6-difluoro-4-nitrophenyl)piperidin-2-yl]ethanol

Drug info:

PubChemData

Smile

CC(C)COCCCNC1=C(C=C(C=C1F)[N+](=O)[O-])F

DOS

IR

Vibrations