Geometry & MOs

Info

ID:	227967
PubChem CID:	87563138
Reduced:	ClN2O2H11C13 (1)
Stoich.:	AB2C2D11E13 (1)
Weight, g/mol:	187.1361
ΔH_f, kcal/mol:	-29.03
Dipole, Da:	4.18
IP(EA), eV:	-8.69(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3-dimethylcyclopenta-1,3-dien-1-yl)-2,5-dimethyl-1H-pyrrole

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=NC(=C1)Cl)NC2=CC=CC=C2

DOS

IR

Vibrations