Geometry & MOs

Info

ID:	314073
PubChem CID:	126620303
Reduced:	O3C10H16 (1)
Stoich.:	A3B10C16 (1)
Weight, g/mol:	454.246772
ΔH_f, kcal/mol:	-112.83
Dipole, Da:	2.49
IP(EA), eV:	-9.89(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[(3R)-1-[4-[(1R)-1-(phenylmethoxycarbonylamino)ethyl]phenyl]pyrrolidin-3-yl]oxyacetate

Drug info:

PubChemData

Smile

CC#CCOCC(=O)OC(C)(C)C

DOS

IR

Vibrations