Geometry & MOs

Info

ID:	166472
PubChem CID:	74694867
Reduced:	N2O3H20C23 (1)
Stoich.:	A2B3C20D23 (1)
Weight, g/mol:	325.158589
ΔH_f, kcal/mol:	-34.33
Dipole, Da:	13.43
IP(EA), eV:	-8.9(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[1-[1-(1,3-benzodioxol-5-yl)propan-2-yl-methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]azanium

Drug info:

PubChemData

Smile

COC1=CC=C(C2=CC=CC=C21)C3C4=C(CC([NH2+]3)C(=O)[O-])C5=CC=CC=C5N4

DOS

IR

Vibrations