Geometry & MOs

Info

ID:	368596
PubChem CID:	127329605
Reduced:	SN2O3C20H36 (1)
Stoich.:	AB2C3D20E36 (1)
Weight, g/mol:	224.188863
ΔH_f, kcal/mol:	-169.54
Dipole, Da:	9.39
IP(EA), eV:	-8.9(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-ethylazepan-1-yl)-1-methylpyrrolidin-2-one

Drug info:

PubChemData

Smile

CCC1CCCN(CC1)CC(=O)N(C2CCCCC2)C3CCS(=O)(=O)C3

DOS

IR

Vibrations