Geometry & MOs

Info

ID:	121738
PubChem CID:	50779574
Reduced:	BrO2N3C21H30 (1)
Stoich.:	AB2C3D21E30 (1)
Weight, g/mol:	446.289306
ΔH_f, kcal/mol:	-79.76
Dipole, Da:	3.48
IP(EA), eV:	-9.33(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dimethoxy-N-[2-(2-methylpiperidin-1-yl)ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide

Drug info:

PubChemData

Smile

C1CCCC(CC1)N(CCC(=O)N2CCNCC2)C(=O)C3=CC(=CC=C3)Br

DOS

IR

Vibrations