Geometry & MOs

Info

ID:	5858
PubChem CID:	13916
Reduced:	ClNOH3C5 (2)
Stoich.:	ABCD3E5 (2)
Weight, g/mol:	255.980633
ΔH_f, kcal/mol:	28.46
Dipole, Da:	4.67
IP(EA), eV:	-9.47(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)[N+](=O)[O-])C2=CNC=C2Cl

DOS

IR

Vibrations