Geometry & MOs

Info

ID:	242283
PubChem CID:	96099815
Reduced:	F2N4C13H16 (1)
Stoich.:	A2B4C13D16 (1)
Weight, g/mol:	320.148455
ΔH_f, kcal/mol:	-42.24
Dipole, Da:	3.5
IP(EA), eV:	-9.1(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-methyl-1,2-oxazol-3-yl)oxy]-1-[(2R)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CNCC1=NC2=C(N1[C@H]3CCNC3)C(=C(C=C2)F)F

DOS

IR

Vibrations