Geometry & MOs

Info

ID:	121815
PubChem CID:	50782432
Reduced:	BrN3O3C19H20 (1)
Stoich.:	AB3C3D19E20 (1)
Weight, g/mol:	470.216535
ΔH_f, kcal/mol:	-73.13
Dipole, Da:	2.31
IP(EA), eV:	-8.4(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]-2-[(2-phenoxyacetyl)amino]benzoic acid

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=CC=C(C=C3)Br)C(=O)O

DOS

IR

Vibrations