Geometry & MOs

Info

ID:	242279
PubChem CID:	96099811
Reduced:	F3N4C14H17 (1)
Stoich.:	A3B4C14D17 (1)
Weight, g/mol:	329.185175
ΔH_f, kcal/mol:	-116.84
Dipole, Da:	6.34
IP(EA), eV:	-9.34(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(dimethylamino)pyridin-4-yl]-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations