Geometry & MOs

Info

ID:	85180
PubChem CID:	49872227
Reduced:	O2N4H22C23 (1)
Stoich.:	A2B4C22D23 (1)
Weight, g/mol:	253.123342
ΔH_f, kcal/mol:	66.47
Dipole, Da:	2.85
IP(EA), eV:	-9.15(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[(1S)-1-(4-chlorophenoxy)-2-methylpropyl]pyrrolidine

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=CC=CC2=C1ON=C2C3=CC=CC=C3[C@H](CC4=CC=CC=N4)N

DOS

IR

Vibrations