Geometry & MOs

Info

ID:	144609
PubChem CID:	53388071
Reduced:	NC16H17 (1)
Stoich.:	AB16C17 (1)
Weight, g/mol:	249.15175
ΔH_f, kcal/mol:	82.46
Dipole, Da:	2.25
IP(EA), eV:	-8.69(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C#CC1=CC=CC=C1N2C=CC=C2

DOS

IR

Vibrations