Geometry & MOs

Info

ID:	121739
PubChem CID:	50779621
Reduced:	N2O2C12H19 (2)
Stoich.:	A2B2C12D19 (2)
Weight, g/mol:	395.12084
ΔH_f, kcal/mol:	-161.9
Dipole, Da:	5.33
IP(EA), eV:	-8.49(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide

Drug info:

PubChemData

Smile

CC1CCCCN1CCN(CCC(=O)N2CCNCC2)C(=O)C3=CC(=CC(=C3)OC)OC

DOS

IR

Vibrations