Geometry & MOs

Info

ID:	350609
PubChem CID:	127278644
Reduced:	N3O3C22H27 (1)
Stoich.:	A3B3C22D27 (1)
Weight, g/mol:	314.166414
ΔH_f, kcal/mol:	-115.58
Dipole, Da:	4.82
IP(EA), eV:	-9.03(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-cyclobutylpyrrolidin-1-yl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone

Drug info:

PubChemData

Smile

CC12CCC(=O)N1C3=CC=CC=C3C(=O)N2CC(=O)N4CCCC4C5CCC5

DOS

IR

Vibrations