Geometry & MOs

Info

ID:	391588
PubChem CID:	135006716
Reduced:	NOPH24C28 (1)
Stoich.:	ABCD24E28 (1)
Weight, g/mol:	560.340279
ΔH_f, kcal/mol:	67.38
Dipole, Da:	1.66
IP(EA), eV:	-8.61(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-[(1S)-1-phenylethyl]-2-[(3R)-1-[(1S)-1-phenylethyl]-3-phenylmethoxypyrrolidin-2-yl]-3-phenylmethoxypyrrolidine

Drug info:

PubChemData

Smile

C1[C@@H](N=C(O1)CC2=CC=CC=C2P(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations