Geometry & MOs

Info

ID:	212742
PubChem CID:	81061680
Reduced:	ClN3O3C10H14 (1)
Stoich.:	AB3C3D10E14 (1)
Weight, g/mol:	306.01345
ΔH_f, kcal/mol:	-29.26
Dipole, Da:	4.04
IP(EA), eV:	-9.28(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-(chloromethyl)-N-(2-ethoxyethyl)-N-methylpyridin-2-amine

Drug info:

PubChemData

Smile

CCOCCN(C)C1=C(C=CC(=N1)Cl)[N+](=O)[O-]

DOS

IR

Vibrations