Geometry & MOs

Info

ID:	138315
PubChem CID:	52345745
Reduced:	ClON3C16H22 (1)
Stoich.:	ABC3D16E22 (1)
Weight, g/mol:	260.188863
ΔH_f, kcal/mol:	17.27
Dipole, Da:	1.09
IP(EA), eV:	-9.33(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]-N-propylacetamide

Drug info:

PubChemData

Smile

CCCCC1=NOC(=N1)CN(C)[C@@H](C)C2=CC=CC=C2Cl

DOS

IR

Vibrations