Geometry & MOs

Info

ID:	423703
PubChem CID:	135120050
Reduced:	N5O6C38H47 (1)
Stoich.:	A5B6C38D47 (1)
Weight, g/mol:	334.169271
ΔH_f, kcal/mol:	-231.3
Dipole, Da:	4.27
IP(EA), eV:	-9.23(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-[3-(4-fluorophenoxy)propyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)NCCCCN(CC2=CC=C(C=C2)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CC3=CC=CC=C3)C(=O)CC4=CC(=CC=C4)O

DOS

IR

Vibrations