Geometry & MOs

Info

ID:	279864
PubChem CID:	103845379
Reduced:	SN2O3C17H28 (1)
Stoich.:	AB2C3D17E28 (1)
Weight, g/mol:	325.200156
ΔH_f, kcal/mol:	-140.04
Dipole, Da:	3.82
IP(EA), eV:	-9.17(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (4S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-methoxypyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC=C(S1)CNC2CN(C[C@@H]2OC)C(=O)OC(C)(C)C

DOS

IR

Vibrations