Geometry & MOs

Info

ID:	305619
PubChem CID:	124962635
Reduced:	N3O3C19H25 (1)
Stoich.:	A3B3C19D25 (1)
Weight, g/mol:	314.174276
ΔH_f, kcal/mol:	-123.38
Dipole, Da:	7.24
IP(EA), eV:	-9.44(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-[2-(methylamino)pyridin-4-yl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)N1CCC[C@H]1C2=CC(=NC=C2)N3CC4(CCCCC4)OC3=O

DOS

IR

Vibrations