Geometry & MOs

Info

ID:	274547
PubChem CID:	103810103
Reduced:	ClFN3O3H7C12 (1)
Stoich.:	ABC3D3E7F12 (1)
Weight, g/mol:	253.179027
ΔH_f, kcal/mol:	-32.95
Dipole, Da:	7.16
IP(EA), eV:	-9.65(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(2S)-piperidine-2-carbonyl]piperidin-4-yl]acetamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(=O)NC2=CN=C(C=C2)F)[N+](=O)[O-])Cl

DOS

IR

Vibrations