Geometry & MOs

Info

ID:	419548
PubChem CID:	135108404
Reduced:	SN4O4C15H20 (1)
Stoich.:	AB4C4D15E20 (1)
Weight, g/mol:	342.194343
ΔH_f, kcal/mol:	-105.02
Dipole, Da:	6.1
IP(EA), eV:	-9.24(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-1-[2-(2-methoxy-4-methylphenoxy)ethyl]-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)C2=NNC3=CC=CC=C32

DOS

IR

Vibrations