Geometry & MOs

Info

ID:	241397
PubChem CID:	96023344
Reduced:	FN3O3H12C14 (1)
Stoich.:	AB3C3D12E14 (1)
Weight, g/mol:	317.173942
ΔH_f, kcal/mol:	-34.21
Dipole, Da:	8.58
IP(EA), eV:	-9.34(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-1-[(1S)-1-(2-nitrophenyl)ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CN[C@@H](C2=C1C=CC(=C2F)O)C3=NC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations