Geometry & MOs

Info

ID:	416233
PubChem CID:	135089243
Reduced:	N2O3C22H34 (1)
Stoich.:	A2B3C22D34 (1)
Weight, g/mol:	349.119319
ΔH_f, kcal/mol:	-141.46
Dipole, Da:	4.42
IP(EA), eV:	-8.5(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chlorophenoxy)-1-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)(CN1CC[C@]([C@@H](C1)O)(CC2=CC=CC=C2)C(=O)O)N3CCCCC3

DOS

IR

Vibrations