Geometry & MOs

Info

ID:	339251
PubChem CID:	127260630
Reduced:	OC13H18 (1)
Stoich.:	AB13C18 (1)
Weight, g/mol:	245.087435
ΔH_f, kcal/mol:	-40.65
Dipole, Da:	3.29
IP(EA), eV:	-9.46(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-(3-methyl-1,3-benzothiazol-2-ylidene)cyclohexan-1-one

Drug info:

PubChemData

Smile

C1CCC(=O)/C(=C\C2CCC=CC2)/C1

DOS

IR

Vibrations