Geometry & MOs

Info

ID:	418434
PubChem CID:	135104771
Reduced:	NOC11H12 (2)
Stoich.:	ABC11D12 (2)
Weight, g/mol:	330.132805
ΔH_f, kcal/mol:	-39.24
Dipole, Da:	7.59
IP(EA), eV:	-8.98(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)C2=CC=CC=C2)C(=O)C3CCC4=CC=CC=C34

DOS

IR

Vibrations