Geometry & MOs

Info

ID:	418858
PubChem CID:	135106969
Reduced:	ON4C21H24 (1)
Stoich.:	AB4C21D24 (1)
Weight, g/mol:	397.175004
ΔH_f, kcal/mol:	16.25
Dipole, Da:	3.08
IP(EA), eV:	-9.35(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-one

Drug info:

PubChemData

Smile

CCC1=CC(=NC(=N1)C)N[C@@H]2COC[C@H]2CC3=CC=NC4=CC=CC=C34

DOS

IR

Vibrations