Geometry & MOs

Info

ID:	381829
PubChem CID:	134972669
Reduced:	NC15H23 (1)
Stoich.:	AB15C23 (1)
Weight, g/mol:	355.124215
ΔH_f, kcal/mol:	-4.85
Dipole, Da:	1.66
IP(EA), eV:	-8.47(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-methoxyphenyl)methyl]-4-methyl-1-(4-methylphenyl)sulfonylpyrrole

Drug info:

PubChemData

Smile

C[C@H](C[C@@H]1CCCCN1C)C2=CC=CC=C2

DOS

IR

Vibrations