Geometry & MOs

Info

ID:	83458
PubChem CID:	49857615
Reduced:	N2O3C20H28 (1)
Stoich.:	A2B3C20D28 (1)
Weight, g/mol:	421.272927
ΔH_f, kcal/mol:	-115.25
Dipole, Da:	5.13
IP(EA), eV:	-8.96(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-phenylpiperazin-1-yl)-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-1-one

Drug info:

PubChemData

Smile

C[C@@H]1CCCN1CCCOC2=CC=C(C=C2)C(=O)CN3CCCC3=O

DOS

IR

Vibrations