Geometry & MOs

Info

ID:	242438
PubChem CID:	96100036
Reduced:	FO2N3C13H16 (1)
Stoich.:	AB2C3D13E16 (1)
Weight, g/mol:	305.173942
ΔH_f, kcal/mol:	-88.87
Dipole, Da:	4.67
IP(EA), eV:	-9.2(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(oxan-4-yl)ethanone

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OC)N1C2=C(C=C(C=C2)F)N=C1CNC

DOS

IR

Vibrations