Geometry & MOs

Info

ID:	166842
PubChem CID:	74742234
Reduced:	SN2O6C28H30 (1)
Stoich.:	AB2C6D28E30 (1)
Weight, g/mol:	404.197417
ΔH_f, kcal/mol:	-119.17
Dipole, Da:	6.65
IP(EA), eV:	-8.83(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(2-methoxydibenzofuran-3-yl)-2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]acetamide

Drug info:

PubChemData

Smile

CCSCCOC(=O)C1C(C2=C(CC(CC2=O)C3=CC=C(C=C3)OC)N=C1C)C4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations