Geometry & MOs

Info

ID:	326376
PubChem CID:	126687427
Reduced:	NO2C23H35 (1)
Stoich.:	AB2C23D35 (1)
Weight, g/mol:	388.15537
ΔH_f, kcal/mol:	-118.84
Dipole, Da:	1.6
IP(EA), eV:	-8.77(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CN1C[C@H]2CC(C[C@H]2C1)(CC3CCCCC3)O)C4=CC=C(C=C4)O

DOS

IR

Vibrations