Geometry & MOs

Info

ID:	139363
PubChem CID:	52518469
Reduced:	ON3C26H31 (1)
Stoich.:	AB3C26D31 (1)
Weight, g/mol:	402.254538
ΔH_f, kcal/mol:	10.78
Dipole, Da:	2.29
IP(EA), eV:	-8.12(0.18)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[(2R)-2-[(2R)-1-benzylpyrrolidin-1-ium-2-yl]pyrrolidin-1-yl]-2-(1-methylindol-3-yl)ethanone

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)CC(=O)N3CCC[C@H]3[C@@H]4CCCN4CC5=CC=CC=C5

DOS

IR

Vibrations