Geometry & MOs

Info

ID:	273709
PubChem CID:	103771860
Reduced:	NOC6H13 (2)
Stoich.:	ABC6D13 (2)
Weight, g/mol:	313.236542
ΔH_f, kcal/mol:	-120.54
Dipole, Da:	4.23
IP(EA), eV:	-9.36(1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[[[1-oxo-1-(propylamino)propan-2-yl]amino]methyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CCCNC(=O)C(C)NCCCCCOC

DOS

IR

Vibrations