Geometry & MOs

Info

ID:	364362
PubChem CID:	127315505
Reduced:	SN3O4C16H25 (1)
Stoich.:	AB3C4D16E25 (1)
Weight, g/mol:	197.177964
ΔH_f, kcal/mol:	-132.93
Dipole, Da:	6.81
IP(EA), eV:	-9.54(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,2-dimethylpyrrolidin-1-yl)-2,3-dimethylbutan-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)S(=O)(=O)N[C@@H](C)C(=O)N2CCCC2C3CCC3

DOS

IR

Vibrations