Geometry & MOs

Info

ID:	55312
PubChem CID:	17390038
Reduced:	N5C9H13 (1)
Stoich.:	A5B9C13 (1)
Weight, g/mol:	221.024356
ΔH_f, kcal/mol:	67.58
Dipole, Da:	5.09
IP(EA), eV:	-8.41(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chlorophenyl)pyrrole-2-carboxylic acid

Drug info:

PubChemData

Smile

CCN1C(=C(C=N1)C2=CC(=NN2)N)C

DOS

IR

Vibrations