Geometry & MOs

Info

ID:	5026
PubChem CID:	12473
Reduced:	NO2C5H5 (1)
Stoich.:	AB2C5D5 (1)
Weight, g/mol:	111.032028
ΔH_f, kcal/mol:	-55.48
Dipole, Da:	5.42
IP(EA), eV:	-9.84(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1H-pyrrole-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CNC(=C1)C(=O)O

DOS

IR

Vibrations