Geometry & MOs

Info

ID:	416935
PubChem CID:	135090827
Reduced:	OSN6C17H18 (1)
Stoich.:	ABC6D17E18 (1)
Weight, g/mol:	303.121906
ΔH_f, kcal/mol:	73.66
Dipole, Da:	5.03
IP(EA), eV:	-8.77(-1.51)
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]-(5-hydroxypyridin-3-yl)methanone

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=CN=C(C=C1)NCCC2=CSC(=N2)C3=NC=CC=N3

DOS

IR

Vibrations