Geometry & MOs

Info

ID:	152232
PubChem CID:	56311119
Reduced:	O2N4C27H36 (1)
Stoich.:	A2B4C27D36 (1)
Weight, g/mol:	396.204907
ΔH_f, kcal/mol:	-46.92
Dipole, Da:	5.27
IP(EA), eV:	-8.6(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[3-(1,3-benzodioxol-5-yloxy)propyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)N3CCN(CC3)CC4=CC=CC=C4C

DOS

IR

Vibrations