Geometry & MOs

Info

ID:	55313
PubChem CID:	17390041
Reduced:	ClNO2H8C11 (1)
Stoich.:	ABC2D8E11 (1)
Weight, g/mol:	251.034921
ΔH_f, kcal/mol:	-35.12
Dipole, Da:	4.86
IP(EA), eV:	-9.56(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloro-2-methoxyphenyl)pyrrole-2-carboxylic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations