Geometry & MOs

Info

ID:	144611
PubChem CID:	53388073
Reduced:	NC17H17 (1)
Stoich.:	AB17C17 (1)
Weight, g/mol:	207.104799
ΔH_f, kcal/mol:	89.81
Dipole, Da:	2.12
IP(EA), eV:	-8.68(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)C#CC2=CC=CC=C2N3C=CC=C3

DOS

IR

Vibrations