Geometry & MOs

Info

ID:	431496
PubChem CID:	135171577
Reduced:	ClSO2N5C17H18 (1)
Stoich.:	ABC2D5E17F18 (1)
Weight, g/mol:	109.089149
ΔH_f, kcal/mol:	16.92
Dipole, Da:	4.6
IP(EA), eV:	-8.5(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-4-methyl-3H-pyrrole

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=N1)Cl)SNC2=CC3=C(N=C2)OCCN=C3/C=C\N

DOS

IR

Vibrations