Geometry & MOs

Info

ID:	281180
PubChem CID:	103911276
Reduced:	BrNSO2C14H18 (1)
Stoich.:	ABCD2E14F18 (1)
Weight, g/mol:	212.152478
ΔH_f, kcal/mol:	-72.59
Dipole, Da:	7.12
IP(EA), eV:	-9.44(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-[(2-methyloxan-4-yl)amino]pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CC(CS(=O)(=O)C1)NC2CCC3=C2C=CC=C3Br

DOS

IR

Vibrations