Geometry & MOs

Info

ID:	242403
PubChem CID:	96099938
Reduced:	O3N4C14H20 (1)
Stoich.:	A3B4C14D20 (1)
Weight, g/mol:	326.149124
ΔH_f, kcal/mol:	-74.03
Dipole, Da:	2.21
IP(EA), eV:	-8.36(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

imidazo[1,2-a]pyrimidin-2-yl-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CNCC1=NC2=CC3=C(C=C2N1C[C@@H](CN)O)OCCO3

DOS

IR

Vibrations