Geometry & MOs

Info

ID:	350720
PubChem CID:	127279008
Reduced:	ON4C20H22 (1)
Stoich.:	AB4C20D22 (1)
Weight, g/mol:	219.092915
ΔH_f, kcal/mol:	30.82
Dipole, Da:	3.81
IP(EA), eV:	-8.73(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,2-dimethylpyrrolidin-1-yl)-2-methylsulfonylethanone

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C=CC(=N2)C(=O)N3CCCC3(C)C)C4=CC=CC=C4

DOS

IR

Vibrations