Geometry & MOs

Info

ID:	364332
PubChem CID:	127315472
Reduced:	O3N4C17H28 (1)
Stoich.:	A3B4C17D28 (1)
Weight, g/mol:	233.108565
ΔH_f, kcal/mol:	-86.09
Dipole, Da:	4.45
IP(EA), eV:	-9.0(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-(3-methylpyrrolidin-1-yl)-2-methylsulfonylpropan-1-one

Drug info:

PubChemData

Smile

CCC(C(=O)N1CCN(CC1)CC2=NC(=NO2)C)OC3CCCC3

DOS

IR

Vibrations