Geometry & MOs

Info

ID:	83459
PubChem CID:	49857616
Reduced:	O2N3C26H35 (1)
Stoich.:	A2B3C26D35 (1)
Weight, g/mol:	435.288577
ΔH_f, kcal/mol:	-34.14
Dipole, Da:	5.65
IP(EA), eV:	-8.16(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)C1=CC=C(C=C1)OCCCN2CCCC2)N3CCN(CC3)C4=CC=CC=C4

DOS

IR

Vibrations