Geometry & MOs

Info

ID:	195566
PubChem CID:	78702372
Reduced:	ClN2O4C22H26 (1)
Stoich.:	AB2C4D22E26 (1)
Weight, g/mol:	313.137459
ΔH_f, kcal/mol:	-99.42
Dipole, Da:	6.92
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.911305
Charge, e:	1

Chem-info

IUPAC name:

1-(2,3-dihydroindol-1-yl)-2-(2-thiophen-2-ylpyrrolidin-1-ium-1-yl)ethanone

Drug info:

PubChemData

Smile

C1CC([NH+](C1)CC(=O)NCCOC2=CC=C(C=C2)Cl)C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations