Geometry & MOs

Info

ID:	184527
PubChem CID:	77172976
Reduced:	BrO3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	344.246378
ΔH_f, kcal/mol:	-118.3
Dipole, Da:	5.6
IP(EA), eV:	-8.76(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-2-[(2-pyrrolidin-1-ylcyclohexyl)amino]benzoic acid

Drug info:

PubChemData

Smile

C1CC2=C(C(=O)C3CC(CCC3O2)Br)OC1

DOS

IR

Vibrations