Geometry & MOs

Info

ID:	245132
PubChem CID:	99437685
Reduced:	BrFON3H13C16 (1)
Stoich.:	ABCD3E13F16 (1)
Weight, g/mol:	360.139782
ΔH_f, kcal/mol:	-16.14
Dipole, Da:	1.83
IP(EA), eV:	-8.73(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-N-(2-fluorophenyl)-3-N-(5-fluoropyridin-2-yl)piperidine-1,3-dicarboxamide

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1CC(=O)NC3=NC=C(C=C3)F)Br

DOS

IR

Vibrations