Geometry & MOs

Info

ID:	242406
PubChem CID:	96099941
Reduced:	O3N4C13H18 (1)
Stoich.:	A3B4C13D18 (1)
Weight, g/mol:	326.149124
ΔH_f, kcal/mol:	-81.86
Dipole, Da:	8.12
IP(EA), eV:	-9.48(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNCC1=NC2=C(N1C[C@@H](CN)O)C=CC(=C2)C(=O)O

DOS

IR

Vibrations