Geometry & MOs

Info

ID:	144610
PubChem CID:	53388072
Reduced:	NC18H19 (1)
Stoich.:	AB18C19 (1)
Weight, g/mol:	235.1361
ΔH_f, kcal/mol:	82.99
Dipole, Da:	2.06
IP(EA), eV:	-8.69(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2-cyclopentylethynyl)phenyl]pyrrole

Drug info:

PubChemData

Smile

C1CCC(CC1)C#CC2=CC=CC=C2N3C=CC=C3

DOS

IR

Vibrations