Geometry & MOs

Info

ID:	350865
PubChem CID:	127279153
Reduced:	ClSN2O3C17H23 (1)
Stoich.:	ABC2D3E17F23 (1)
Weight, g/mol:	297.184112
ΔH_f, kcal/mol:	-116.92
Dipole, Da:	8.37
IP(EA), eV:	-9.3(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-cyanophenyl)-3-(2-cyclobutylpyrrolidin-1-yl)propanamide

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCCC2C3CCC3

DOS

IR

Vibrations