Geometry & MOs

Info

ID:	71784
PubChem CID:	48415386
Reduced:	N2O2C15H24 (1)
Stoich.:	A2B2C15D24 (1)
Weight, g/mol:	378.09429
ΔH_f, kcal/mol:	-48.89
Dipole, Da:	2.26
IP(EA), eV:	-8.82(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromo-4-methylphenoxy)-1-(4-but-3-ynylpiperazin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)COC2CCCC2

DOS

IR

Vibrations