Geometry & MOs

Info

ID:	198477
PubChem CID:	79107252
Reduced:	N2O3C12H16 (1)
Stoich.:	A2B3C12D16 (1)
Weight, g/mol:	229.077265
ΔH_f, kcal/mol:	-95.87
Dipole, Da:	7.18
IP(EA), eV:	-9.21(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(3-methylsulfonylpropyl)pyrrol-3-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=CN(C=C1)CC(=O)N2CCOCC2

DOS

IR

Vibrations