Geometry & MOs

Info

ID:	128942
PubChem CID:	51063996
Reduced:	N2F3O3H5C7 (1)
Stoich.:	A2B3C3D5E7 (1)
Weight, g/mol:	274.087291
ΔH_f, kcal/mol:	-167.62
Dipole, Da:	2.11
IP(EA), eV:	-10.58(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-[(4-ethylphenyl)methyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=N1)C(F)(F)F)[N+](=O)[O-]

DOS

IR

Vibrations