Geometry & MOs

Info

ID:	49000
PubChem CID:	11528600
Reduced:	NO2H11C13 (1)
Stoich.:	AB2C11D13 (1)
Weight, g/mol:	213.095378
ΔH_f, kcal/mol:	-34.48
Dipole, Da:	5.02
IP(EA), eV:	-10.11(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(4-fluorophenyl)prop-2-ynyl]-1-methylpyrrole

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CC(=O)O)C2=CC=NC=C2

DOS

IR

Vibrations