Geometry & MOs

Info

ID:	403487
PubChem CID:	135060487
Reduced:	O3C10H20 (1)
Stoich.:	A3B10C20 (1)
Weight, g/mol:	227.098
ΔH_f, kcal/mol:	-109.34
Dipole, Da:	3.09
IP(EA), eV:	-9.57(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-ethylsulfanyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CCCCC[C@@H]1CC(OO1)(CC)O

DOS

IR

Vibrations