Geometry & MOs

Info

ID:	372669
PubChem CID:	131301853
Reduced:	BrNOF4H6C8 (1)
Stoich.:	ABCD4E6F8 (1)
Weight, g/mol:	211.117256
ΔH_f, kcal/mol:	-196.73
Dipole, Da:	1.79
IP(EA), eV:	-10.13(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(2,3-difluoro-4-methylphenyl)piperidine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1[C@@H](C(F)(F)F)NO)Br)F

DOS

IR

Vibrations