Geometry & MOs

Info

ID:	55323
PubChem CID:	17390051
Reduced:	NO2C15H17 (1)
Stoich.:	AB2C15D17 (1)
Weight, g/mol:	235.040006
ΔH_f, kcal/mol:	-51.32
Dipole, Da:	4.57
IP(EA), eV:	-9.26(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-4-methylphenyl)pyrrole-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)N2C=CC=C2C(=O)O

DOS

IR

Vibrations