Geometry & MOs

Info

ID:	413549
PubChem CID:	135086498
Reduced:	LiSiS2C10H21 (1)
Stoich.:	ABC2D10E21 (1)
Weight, g/mol:	211.099714
ΔH_f, kcal/mol:	-63.93
Dipole, Da:	7.38
IP(EA), eV:	-7.26(1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylphenyl)-1-pyrrol-1-ylprop-2-en-1-one

Drug info:

PubChemData

Smile

[Li+].CC[Si](CC)(CC)[C-]1SCCCS1

DOS

IR

Vibrations