Geometry & MOs

Info

ID:	134480
PubChem CID:	51703539
Reduced:	N4O6C21H28 (1)
Stoich.:	A4B6C21D28 (1)
Weight, g/mol:	320.165541
ΔH_f, kcal/mol:	-222.89
Dipole, Da:	2.41
IP(EA), eV:	-8.05(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

[5-(2-chlorophenyl)furan-2-yl]methyl-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]azanium

Drug info:

PubChemData

Smile

CCOC(=O)N1CCN(CC1)C(=O)[C@@H](C)NC(=O)C2=CC3=C(C=CC(=C3N2)OC)OC

DOS

IR

Vibrations