Geometry & MOs

Info

ID:	242276
PubChem CID:	96099808
Reduced:	N5C13H19 (1)
Stoich.:	A5B13C19 (1)
Weight, g/mol:	307.189592
ΔH_f, kcal/mol:	44.92
Dipole, Da:	1.55
IP(EA), eV:	-8.1(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(cyclopropylmethoxy)-1-[(2R)-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)N

DOS

IR

Vibrations