Geometry & MOs

Info

ID:	427478
PubChem CID:	135159267
Reduced:	N2O3C41H42 (1)
Stoich.:	A2B3C41D42 (1)
Weight, g/mol:	201.064592
ΔH_f, kcal/mol:	38.49
Dipole, Da:	3.55
IP(EA), eV:	-7.09(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dimethyl-1-(2-methylsulfanylethylsulfanyl)pyrrole

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=CC=C2O1)C3=CC4=C(C=C3)C5(C6CC=CC=C6O4)C7=C(CC(CC7)C8=CCCCN8)OC9=C5C=CCC9)CCN

DOS

IR

Vibrations