Geometry & MOs

Info

ID:	242269
PubChem CID:	96099801
Reduced:	O2N4C15H20 (1)
Stoich.:	A2B4C15D20 (1)
Weight, g/mol:	307.189592
ΔH_f, kcal/mol:	-38.57
Dipole, Da:	4.41
IP(EA), eV:	-9.2(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(cyclopropylmethoxy)-1-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CNCC1=NC2=C(N1[C@H]3CCNC3)C=CC(=C2)C(=O)OC

DOS

IR

Vibrations