Geometry & MOs

Info

ID:	120674
PubChem CID:	50739977
Reduced:	ClN2O2H13C14 (1)
Stoich.:	AB2C2D13E14 (1)
Weight, g/mol:	260.096106
ΔH_f, kcal/mol:	-9.54
Dipole, Da:	2.96
IP(EA), eV:	-9.59(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-fluorophenyl)ethyl]-1-oxidopyridin-1-ium-4-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)Cl)NC(=O)C2=CC=[N+](C=C2)[O-]

DOS

IR

Vibrations