Geometry & MOs

Info

ID:	55315
PubChem CID:	17390043
Reduced:	NO2C13H13 (1)
Stoich.:	AB2C13D13 (1)
Weight, g/mol:	205.053907
ΔH_f, kcal/mol:	-41.68
Dipole, Da:	4.68
IP(EA), eV:	-9.32(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)pyrrole-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)N2C=CC=C2C(=O)O

DOS

IR

Vibrations