Geometry & MOs

Info

ID:	140710
PubChem CID:	52743950
Reduced:	N2O3C20H26 (1)
Stoich.:	A2B3C20D26 (1)
Weight, g/mol:	398.236956
ΔH_f, kcal/mol:	-94.84
Dipole, Da:	3.4
IP(EA), eV:	-8.86(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(4-tert-butylphenoxy)-N-[[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OC[C@H](C)NC(=O)NCCC2=CC=C(C=C2)OC

DOS

IR

Vibrations