Geometry & MOs

Info

ID:	386049
PubChem CID:	134980616
Reduced:	O2C13H22 (1)
Stoich.:	A2B13C22 (1)
Weight, g/mol:	140.156501
ΔH_f, kcal/mol:	-116.37
Dipole, Da:	1.06
IP(EA), eV:	-8.69(1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,5S)-2,2,5-trimethylhept-3-ene

Drug info:

PubChemData

Smile

CC1=C(CC(CC1)(C)C2(OCCO2)C)C

DOS

IR

Vibrations