Geometry & MOs

Info

ID:	124964
PubChem CID:	50905470
Reduced:	NO3C17H25 (1)
Stoich.:	AB3C17D25 (1)
Weight, g/mol:	493.241508
ΔH_f, kcal/mol:	-139.33
Dipole, Da:	2.91
IP(EA), eV:	-8.8(0.15)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[1-[2-[(3,5-difluorophenyl)carbamoylamino]ethyl]-1-methylpyrrolidin-1-ium-3-yl]-2,2-diphenylacetamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC[C@H]1CC2=CC=C(C=C2)OC

DOS

IR

Vibrations