Geometry & MOs

Info

ID:	150801
PubChem CID:	53790497
Reduced:	OSC7H10 (1)
Stoich.:	ABC7D10 (1)
Weight, g/mol:	296.250401
ΔH_f, kcal/mol:	-1.61
Dipole, Da:	4.26
IP(EA), eV:	-8.78(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-(2,4,4-trimethylpentan-2-yl)benzene;toluene

Drug info:

PubChemData

Smile

C=CC(=O)CCCC=S

DOS

IR

Vibrations