Geometry & MOs

Info

ID:	242330
PubChem CID:	96099862
Reduced:	N3O4C14H17 (1)
Stoich.:	A3B4C14D17 (1)
Weight, g/mol:	303.194677
ΔH_f, kcal/mol:	-112.89
Dipole, Da:	5.98
IP(EA), eV:	-8.81(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C(=O)O)N1C2=CC3=C(C=C2N=C1CNC)OCCO3

DOS

IR

Vibrations