Geometry & MOs

Info

ID:	217247
PubChem CID:	85087499
Reduced:	ON4C21H22 (1)
Stoich.:	AB4C21D22 (1)
Weight, g/mol:	346.225643
ΔH_f, kcal/mol:	35.15
Dipole, Da:	5.82
IP(EA), eV:	-8.85(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-[3-methyl-5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]ethyl]carbamate

Drug info:

PubChemData

Smile

CCC1=C2CN3C(=CC(=C(C3=O)C)C(=NN)CC)C2=NC4=CC=CC=C41

DOS

IR

Vibrations