Geometry & MOs

Info

ID:	271397
PubChem CID:	103674267
Reduced:	BrFNC15H15 (1)
Stoich.:	ABCD15E15 (1)
Weight, g/mol:	264.111007
ΔH_f, kcal/mol:	-6.29
Dipole, Da:	1.48
IP(EA), eV:	-9.34(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)F)CNCC2=CC=C(C=C2)Br

DOS

IR

Vibrations