Geometry & MOs

Info

ID:	272549
PubChem CID:	103744992
Reduced:	ClO3N4H7C10 (1)
Stoich.:	AB3C4D7E10 (1)
Weight, g/mol:	254.996617
ΔH_f, kcal/mol:	5.88
Dipole, Da:	2.53
IP(EA), eV:	-9.7(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-(4-chloropyridin-3-yl)-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

C1=CN=CC(=C1Cl)NC(=O)C2=CC(=CN2)[N+](=O)[O-]

DOS

IR

Vibrations