Geometry & MOs

Info

ID:	435412
PubChem CID:	135191394
Reduced:	SO3C15H22 (1)
Stoich.:	AB3C15D22 (1)
Weight, g/mol:	239.1674
ΔH_f, kcal/mol:	-82.71
Dipole, Da:	2.49
IP(EA), eV:	-8.26(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-bis[(1Z)-buta-1,3-dienyl]-3-ethenyl-1-ethyl-4-methylpyrrole

Drug info:

PubChemData

Smile

C/C=C/C(=C\C=C/SC)/C1OCC2CC2(CO1)CO

DOS

IR

Vibrations