Geometry & MOs

Info

ID:	274335
PubChem CID:	103808589
Reduced:	BrON2C12H15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	300.02735
ΔH_f, kcal/mol:	-25.93
Dipole, Da:	4.67
IP(EA), eV:	-9.34(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(4-bromo-3-fluorophenyl)piperidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Br)NC(=O)C2CCNC2

DOS

IR

Vibrations