Geometry & MOs

Info

ID:	422327
PubChem CID:	135117646
Reduced:	N3O3F4H17C18 (1)
Stoich.:	A3B3C4D17E18 (1)
Weight, g/mol:	303.169525
ΔH_f, kcal/mol:	-265.19
Dipole, Da:	2.83
IP(EA), eV:	-9.59(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](CN1C(=O)C2=CC=CC=C2OC(C(F)F)(F)F)O)CC3=NC=CN=C3

DOS

IR

Vibrations