Geometry & MOs

Info

ID:	415771
PubChem CID:	135088771
Reduced:	ClON5C12H18 (1)
Stoich.:	ABC5D12E18 (1)
Weight, g/mol:	368.093913
ΔH_f, kcal/mol:	12.52
Dipole, Da:	4.27
IP(EA), eV:	-9.07(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloro-4-fluorophenoxy)-1-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=NN(C(=C1CN(CCO)CC2=NC=CN2)Cl)C

DOS

IR

Vibrations