Geometry & MOs

Info

ID:	82037
PubChem CID:	49855512
Reduced:	N2O4C19H26 (1)
Stoich.:	A2B4C19D26 (1)
Weight, g/mol:	449.267842
ΔH_f, kcal/mol:	-145.24
Dipole, Da:	8.66
IP(EA), eV:	-8.96(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-benzoylpiperazin-1-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)CCCOC2=CC=C(C=C2)C(=O)CN3CCOCC3

DOS

IR

Vibrations