Geometry & MOs

Info

ID:	198862
PubChem CID:	79163856
Reduced:	Cl2N2O3H12C14 (1)
Stoich.:	A2B2C3D12E14 (1)
Weight, g/mol:	310.052048
ΔH_f, kcal/mol:	-10.19
Dipole, Da:	3.92
IP(EA), eV:	-9.02(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(chloromethyl)-3-[(5-fluoro-2-nitrophenyl)methoxy]-6-methylpyridine

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1)OCC2=C(C=CC=C2Cl)[N+](=O)[O-])CCl

DOS

IR

Vibrations