Geometry & MOs

Info

ID:	212741
PubChem CID:	81061679
Reduced:	ClO2N4C11H19 (1)
Stoich.:	AB2C4D11E19 (1)
Weight, g/mol:	259.072369
ΔH_f, kcal/mol:	-53.7
Dipole, Da:	5.42
IP(EA), eV:	-9.52(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-(2-ethoxyethyl)-N-methyl-3-nitropyridin-2-amine

Drug info:

PubChemData

Smile

CCCOC1=NC(=NC(=N1)N(C)CCOCC)Cl

DOS

IR

Vibrations