Geometry & MOs

Info

ID:	211920
PubChem CID:	81058820
Reduced:	FN2O4C12H15 (1)
Stoich.:	AB2C4D12E15 (1)
Weight, g/mol:	319.99272
ΔH_f, kcal/mol:	-111.58
Dipole, Da:	5.43
IP(EA), eV:	-9.73(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-chloro-N-(2-ethoxyethyl)-N-methylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCOCCN(C)C(=O)C1=CC(=C(C=C1)F)[N+](=O)[O-]

DOS

IR

Vibrations