Geometry & MOs

Info

ID:	281468
PubChem CID:	103913916
Reduced:	NOC15H25 (1)
Stoich.:	ABC15D25 (1)
Weight, g/mol:	346.192629
ΔH_f, kcal/mol:	-64.56
Dipole, Da:	2.19
IP(EA), eV:	-8.95(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[2-[(1,1-dioxothian-3-yl)amino]ethyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C(C)NCCCCCO)C

DOS

IR

Vibrations