Geometry & MOs

Info

ID:	431296
PubChem CID:	135171367
Reduced:	IO2N6C18H19 (1)
Stoich.:	AB2C6D18E19 (1)
Weight, g/mol:	182.112922
ΔH_f, kcal/mol:	80.7
Dipole, Da:	8.07
IP(EA), eV:	-9.15(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E,5E)-5,6-dimethyl-3-methylsulfanylocta-1,3,5-triene

Drug info:

PubChemData

Smile

CC1=CC(=NN=C1N2CCC(CC2)OC3=CN=C(C=C3)I)C4=NOC(=N4)C

DOS

IR

Vibrations