Geometry & MOs

Info

ID:	88524
PubChem CID:	49955105
Reduced:	N2O3Cl4C21H26 (1)
Stoich.:	A2B3C4D21E26 (1)
Weight, g/mol:	408.126099
ΔH_f, kcal/mol:	-89.82
Dipole, Da:	3.39
IP(EA), eV:	-8.69(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

1-[4-[5-[[3-(1-methyltetrazol-5-yl)sulfanylpropylamino]methyl]furan-2-yl]phenyl]ethanol;chloride

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)CNCCN2CCOCC2)Cl)OCC3=CC=C(C=C3)Cl.[Cl-].[Cl-]

DOS

IR

Vibrations