Geometry & MOs

Info

ID:	201504
PubChem CID:	79548302
Reduced:	NO2C16H27 (1)
Stoich.:	AB2C16D27 (1)
Weight, g/mol:	272.09277
ΔH_f, kcal/mol:	-104.2
Dipole, Da:	1.98
IP(EA), eV:	-8.8(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-(2,2-diethoxyethyl)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCOC(CNC(C)C1=CC(=C(C=C1)C)C)OCC

DOS

IR

Vibrations