Geometry & MOs

Info

ID:	373250
PubChem CID:	131312246
Reduced:	BrClO2C11H12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	223.157229
ΔH_f, kcal/mol:	-75.57
Dipole, Da:	4.35
IP(EA), eV:	-9.26(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-tert-butyl-1-methyl-3-propan-2-ylpyrrole-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)C(C1=C(C=C(C=C1)CCl)OC)Br

DOS

IR

Vibrations