Geometry & MOs

Info

ID:	124970
PubChem CID:	50905729
Reduced:	SN2O5C30H41 (1)
Stoich.:	AB2C5D30E41 (1)
Weight, g/mol:	507.16472
ΔH_f, kcal/mol:	-141.94
Dipole, Da:	2.8
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.978674
Charge, e:	1

Chem-info

IUPAC name:

2-[1-[3-(2-bromophenoxy)propyl]-1-methylpyrrolidin-1-ium-3-yl]-2,2-diphenylacetamide

Drug info:

PubChemData

Smile

C[C@@H](CCC(C)C)C(=O)N(C1CCC(CC1)OC2=CC=[N+](C=C2)O)C3=C(SC(=C3)C#CC(C)(C)C)C(=O)O

DOS

IR

Vibrations