Geometry & MOs

Info

ID:	225027
PubChem CID:	85735635
Reduced:	O3C13H16 (1)
Stoich.:	A3B13C16 (1)
Weight, g/mol:	239.098
ΔH_f, kcal/mol:	-71.24
Dipole, Da:	1.63
IP(EA), eV:	-9.63(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzenesulfonylmethyl)-1-methylpyrrolidine

Drug info:

PubChemData

Smile

COC1=C(C(=O)C=CC1=O)CCCCC=C

DOS

IR

Vibrations