Geometry & MOs

Info

ID:	29969
PubChem CID:	838623
Reduced:	ClSN2O2H13C16 (1)
Stoich.:	ABC2D2E13F16 (1)
Weight, g/mol:	334.189257
ΔH_f, kcal/mol:	-6.07
Dipole, Da:	1.71
IP(EA), eV:	-8.71(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]-3-methylbutan-1-one

Drug info:

PubChemData

Smile

CC1=C(N(C(=NC(=O)C2=CC=CO2)S1)C)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations