Geometry & MOs

Info

ID:	399408
PubChem CID:	135040144
Reduced:	ON2C13H16 (1)
Stoich.:	AB2C13D16 (1)
Weight, g/mol:	204.024501
ΔH_f, kcal/mol:	-38.0
Dipole, Da:	3.61
IP(EA), eV:	-8.15(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylthiophen-2-yl)cyclohexa-2,5-diene-1,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=C1)N3CCC[C@H]3C(=O)N2)C

DOS

IR

Vibrations