Geometry & MOs

Info

ID:	374738
PubChem CID:	131342576
Reduced:	ClN2F3H8C10 (1)
Stoich.:	AB2C3D8E10 (1)
Weight, g/mol:	224.096106
ΔH_f, kcal/mol:	-120.66
Dipole, Da:	4.35
IP(EA), eV:	-10.18(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(2-fluoro-3-nitrophenyl)piperidine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1[C@@H](CC(F)(F)F)N)Cl)C#N

DOS

IR

Vibrations