Geometry & MOs

Info

ID:	276137
PubChem CID:	103820853
Reduced:	SO2N3C17H23 (1)
Stoich.:	AB2C3D17E23 (1)
Weight, g/mol:	318.230728
ΔH_f, kcal/mol:	-78.45
Dipole, Da:	1.49
IP(EA), eV:	-8.3(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[1-(4-ethylphenyl)ethylamino]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=NC2=C(S1)C=C(C=C2)NC3CCN(C3)C(=O)OC(C)(C)C

DOS

IR

Vibrations