Geometry & MOs

Info

ID:	339438
PubChem CID:	127261334
Reduced:	OSCl2N2H10C12 (1)
Stoich.:	ABC2D2E10F12 (1)
Weight, g/mol:	136.052429
ΔH_f, kcal/mol:	21.64
Dipole, Da:	3.3
IP(EA), eV:	-8.32(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5Z)-5-(hydroxymethylidene)cyclopenta-1,3-dien-1-yl]ethanone

Drug info:

PubChemData

Smile

C/C=N/NC1=CSC(=C1O)C2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations