Geometry & MOs

Info

ID:	341255
PubChem CID:	127263690
Reduced:	BO4C14H19 (1)
Stoich.:	AB4C14D19 (1)
Weight, g/mol:	129.022607
ΔH_f, kcal/mol:	-219.99
Dipole, Da:	7.7
IP(EA), eV:	-8.91(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-1H-pyrrole-2-carboxylic acid

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)OC)C=O

DOS

IR

Vibrations