Geometry & MOs

Info

ID:	326206
PubChem CID:	126687083
Reduced:	NOC12H14 (2)
Stoich.:	ABC12D14 (2)
Weight, g/mol:	402.195486
ΔH_f, kcal/mol:	-65.54
Dipole, Da:	4.74
IP(EA), eV:	-8.8(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-fluoro-5-hydroxypyridin-2-yl)-2-[(3R,4S)-3-(hydroxymethyl)-4-[3-(3-methoxyphenyl)propyl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1[C@@H]2CN(C[C@@H]2CC1(CC3=CC=CC=C3)O)CCC4=CC5=C(C=C4)NC(=O)C5

DOS

IR

Vibrations