Geometry & MOs

Info

ID:	411833
PubChem CID:	135084678
Reduced:	FN2O2C27H32 (1)
Stoich.:	AB2C2D27E32 (1)
Weight, g/mol:	472.287849
ΔH_f, kcal/mol:	-46.19
Dipole, Da:	3.92
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.472424
Charge, e:	0

Chem-info

IUPAC name:

(2R,5R)-1-[2-[(2R,5R)-2,5-diphenylpyrrolidin-1-yl]ethyl]-2,5-diphenylpyrrolidine

Drug info:

PubChemData

Smile

CCC1C[N+]2(CCC1CC2[C@@H](C3=C4C=C(C=CC4=NC=C3)OC)O)CC5=CC=CC=C5F

DOS

IR

Vibrations