Geometry & MOs

Info

ID:	306055
PubChem CID:	125001458
Reduced:	FON2C8H11 (2)
Stoich.:	ABC2D8E11 (2)
Weight, g/mol:	394.180504
ΔH_f, kcal/mol:	-177.74
Dipole, Da:	3.88
IP(EA), eV:	-8.87(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]ethyl]pyrrolidin-1-yl]-(3-fluorophenyl)methanone

Drug info:

PubChemData

Smile

C1CC(CCC1C(=O)NC[C@@]2(CCN(C2)C3=NC=CN=C3)O)(F)F

DOS

IR

Vibrations