Geometry & MOs

Info

ID:	421127
PubChem CID:	135115410
Reduced:	N3O3C14H23 (1)
Stoich.:	A3B3C14D23 (1)
Weight, g/mol:	291.121906
ΔH_f, kcal/mol:	-91.93
Dipole, Da:	4.88
IP(EA), eV:	-9.46(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2OC)C(=O)C(C)(C)N

DOS

IR

Vibrations