Geometry & MOs

Info

ID:	83460
PubChem CID:	49857617
Reduced:	O2N3C27H37 (1)
Stoich.:	A2B3C27D37 (1)
Weight, g/mol:	401.267842
ΔH_f, kcal/mol:	-41.67
Dipole, Da:	4.85
IP(EA), eV:	-8.15(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)C1=CC=C(C=C1)OCCCN2CCCCC2)N3CCN(CC3)C4=CC=CC=C4

DOS

IR

Vibrations