Geometry & MOs

Info

ID:	151828
PubChem CID:	56310641
Reduced:	O4N5C22H23 (1)
Stoich.:	A4B5C22D23 (1)
Weight, g/mol:	400.15537
ΔH_f, kcal/mol:	7.94
Dipole, Da:	3.64
IP(EA), eV:	-9.32(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC3=NN=C(O3)C4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations