Geometry & MOs

Info

ID:	337331
PubChem CID:	127257013
Reduced:	ClNO2H12C14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	355.91995
ΔH_f, kcal/mol:	-44.23
Dipole, Da:	2.77
IP(EA), eV:	-9.6(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromo-2-chloro-4-nitrophenyl) pyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)Cl)COC(=O)C2=CN=CC=C2

DOS

IR

Vibrations