Geometry & MOs

Info

ID:	374367
PubChem CID:	131327469
Reduced:	BrFON2H8C10 (1)
Stoich.:	ABCD2E8F10 (1)
Weight, g/mol:	249.103479
ΔH_f, kcal/mol:	-25.86
Dipole, Da:	7.11
IP(EA), eV:	-9.56(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-2-methyl-1-(1-methylsulfonylpyrrolidin-3-yl)butan-1-one

Drug info:

PubChemData

Smile

CCN1C=NC2=C1C(=C(C=C2C=O)Br)F

DOS

IR

Vibrations