Geometry & MOs

Info

ID:	326267
PubChem CID:	126687256
Reduced:	FON7C20H24 (1)
Stoich.:	ABC7D20E24 (1)
Weight, g/mol:	395.246044
ΔH_f, kcal/mol:	-21.24
Dipole, Da:	5.52
IP(EA), eV:	-8.62(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3R,4S)-3-(hydroxymethyl)-4-(3-phenylpropyl)pyrrolidin-1-yl]-1-[4-(2-hydroxypropan-2-yl)phenyl]ethanone

Drug info:

PubChemData

Smile

CCC(=O)N[C@@H]1CCCC[C@@]1(N)NC2=NC(=NC=C2F)C3=CNC4=C3C=CC=N4

DOS

IR

Vibrations