Geometry & MOs

Info

ID:	276410
PubChem CID:	103823069
Reduced:	ON4C16H22 (1)
Stoich.:	AB4C16D22 (1)
Weight, g/mol:	330.2341
ΔH_f, kcal/mol:	-18.47
Dipole, Da:	6.22
IP(EA), eV:	-8.8(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[2-(4-methylsulfanylbutylamino)propyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)N2CCC(CC2)CNC(=O)C

DOS

IR

Vibrations