Geometry & MOs

Info

ID:	134070
PubChem CID:	51636484
Reduced:	FN2O3C24H33 (1)
Stoich.:	AB2C3D24E33 (1)
Weight, g/mol:	378.202896
ΔH_f, kcal/mol:	-123.2
Dipole, Da:	3.83
IP(EA), eV:	-8.07(0.2)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(5S)-5-[(4,7-dimethoxy-1,3-benzodioxol-5-yl)methyl]-3-[(4-methylpiperazin-4-ium-1-yl)methyl]-4,5-dihydro-1,2-oxazole

Drug info:

PubChemData

Smile

CN(CCC1=CC(=C(C=C1)OC)OC)[C@H]2CCCN(C2)CC3=C(C=C(C=C3)F)OC

DOS

IR

Vibrations