Geometry & MOs

Info

ID:	138477
PubChem CID:	52370814
Reduced:	ClN2O2C15H22 (1)
Stoich.:	AB2C2D15E22 (1)
Weight, g/mol:	371.177096
ΔH_f, kcal/mol:	-67.43
Dipole, Da:	2.37
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752986
Charge, e:	1

Chem-info

IUPAC name:

3-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]-N-(2-fluorophenyl)propanamide

Drug info:

PubChemData

Smile

C1C[C@@H](C[NH+](C1)CCC(=O)NCC2=CC=CC=C2Cl)O

DOS

IR

Vibrations