Geometry & MOs

Info

ID:	47999
PubChem CID:	10536303
Reduced:	SN3O3C6H13 (1)
Stoich.:	AB3C3D6E13 (1)
Weight, g/mol:	207.1987
ΔH_f, kcal/mol:	-81.3
Dipole, Da:	6.44
IP(EA), eV:	-10.01(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-2-methyl-1-(2-methylpropyl)-3-propylpyrrole

Drug info:

PubChemData

Smile

CC(C)(CCOS(=O)(=O)C)N=[N+]=[N-]

DOS

IR

Vibrations