Geometry & MOs

Info

ID:	415440
PubChem CID:	135088434
Reduced:	N4O5C24H36 (1)
Stoich.:	A4B5C24D36 (1)
Weight, g/mol:	393.18009
ΔH_f, kcal/mol:	-212.97
Dipole, Da:	2.77
IP(EA), eV:	-8.55(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@@H](C(=O)NCCCN(CCCC(=O)N1)CC2=CC3=C(C=C2)OCCO3)C(C)C

DOS

IR

Vibrations