Geometry & MOs

Info

ID:	68694
PubChem CID:	46508910
Reduced:	BrN3O4C18H18 (1)
Stoich.:	AB3C4D18E18 (1)
Weight, g/mol:	445.200156
ΔH_f, kcal/mol:	-56.75
Dipole, Da:	2.7
IP(EA), eV:	-8.53(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-(4-benzylpiperazin-1-yl)anilino]-2-oxoethyl] 2-hydroxybenzoate

Drug info:

PubChemData

Smile

CCCCNC1=CC=CC=C1C(=O)OCC2=NN=C(O2)C3=CC=C(O3)Br

DOS

IR

Vibrations