Geometry & MOs

Info

ID:	13049
PubChem CID:	220368
Reduced:	ClN2O2H11C13 (1)
Stoich.:	AB2C2D11E13 (1)
Weight, g/mol:	262.050905
ΔH_f, kcal/mol:	31.59
Dipole, Da:	5.02
IP(EA), eV:	-10.32(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-chloro-2-(4-nitrophenyl)ethyl]pyridine

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)C(CC2=CC=C(C=C2)[N+](=O)[O-])Cl

DOS

IR

Vibrations