Geometry & MOs

Info

ID:	276159
PubChem CID:	103821012
Reduced:	ClN2O2C17H25 (1)
Stoich.:	AB2C2D17E25 (1)
Weight, g/mol:	320.209993
ΔH_f, kcal/mol:	-108.57
Dipole, Da:	4.03
IP(EA), eV:	-9.4(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=CC=C1)Cl)NC2CCN(C2)C(=O)OC(C)(C)C

DOS

IR

Vibrations