Geometry & MOs

Info

ID:	149864
PubChem CID:	53789543
Reduced:	O2S2F3N3H16C20 (1)
Stoich.:	A2B2C3D3E16F20 (1)
Weight, g/mol:	323.188529
ΔH_f, kcal/mol:	-86.94
Dipole, Da:	6.81
IP(EA), eV:	-8.73(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-3-[(5-methoxy-2,3-dihydro-1H-inden-1-yl)oxy]pyrrolidine

Drug info:

PubChemData

Smile

CSC1=CC=C(C=C1)C2=C(N(N=C2C3=CC=C(C=C3)S(=O)(=O)N)CC#C)C(F)(F)F

DOS

IR

Vibrations