Geometry & MOs

Info

ID:	209134
PubChem CID:	80628426
Reduced:	ClN3C16H16 (1)
Stoich.:	AB3C16D16 (1)
Weight, g/mol:	292.06147
ΔH_f, kcal/mol:	66.59
Dipole, Da:	5.76
IP(EA), eV:	-8.86(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(chloromethyl)-3-methyl-2-(3-methyl-4-nitrophenoxy)pyridine

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1N(CCC#N)C2=CC=CC=C2)CCl

DOS

IR

Vibrations