Geometry & MOs

Info

ID:	250145
PubChem CID:	103094434
Reduced:	OCl2N3C13H13 (1)
Stoich.:	AB2C3D13E13 (1)
Weight, g/mol:	254.996617
ΔH_f, kcal/mol:	-6.75
Dipole, Da:	2.09
IP(EA), eV:	-9.15(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN1C=C(C=C1C(=O)NC2=C(C=CC=N2)Cl)Cl

DOS

IR

Vibrations