Geometry & MOs

Info

ID:	47788
PubChem CID:	10535283
Reduced:	OC12H16 (1)
Stoich.:	AB12C16 (1)
Weight, g/mol:	176.156501
ΔH_f, kcal/mol:	28.82
Dipole, Da:	3.43
IP(EA), eV:	-9.86(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-(2-methylpentan-2-yl)benzene

Drug info:

PubChemData

Smile

C=CCCC/C=C/CCC(=O)C#C

DOS

IR

Vibrations